data_2lvi_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 2lvi _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 3' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.807 0.336 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -119.78 -30.04 4.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -57.38 -31.68 66.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -69.8 -17.69 63.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -103.45 -40.11 6.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.182 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -54.23 -63.22 1.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -55.66 -26.7 45.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -67.62 -48.52 66.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -78.94 -22.78 45.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -81.72 57.18 3.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 -179.88 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 48.1 mttt -91.54 168.44 11.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.83 0.348 . . . . 0.0 110.855 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.4 pt -124.41 133.68 68.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.179 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.67 99.77 0.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.825 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.09 -46.02 44.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 88.6 p -49.63 -30.27 8.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -87.91 -31.71 19.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.4 tt -71.75 -54.32 10.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.412 ' HA ' HD13 ' A' ' 28' ' ' LEU . 10.2 t -54.05 -25.3 20.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -97.91 -18.75 18.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.825 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.52 18.79 13.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.102 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' A' ' 25' ' ' THR . 1.8 mt -98.56 -59.91 1.65 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.1 mtm-85 -55.24 -34.67 64.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.8 t -62.47 -16.53 55.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.162 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.2 mt -95.45 -20.02 19.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 130.97 1.88 4.85 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.543 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 p -59.91 -169.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.929 0.395 . . . . 0.0 110.882 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.58 -50.6 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.158 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 p -87.55 53.69 2.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.64 -34.59 40.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.082 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -71.35 -22.54 61.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -55.39 -30.6 60.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.4 p -112.48 -22.26 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -54.62 -23.84 18.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.67 6.02 11.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 6.8 mtm -137.86 28.02 2.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.2 ptt? -83.52 -12.43 56.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.915 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -107.2 3.19 25.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -118.99 -8.74 10.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.3 pt -81.95 -28.31 9.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 178.93 -47.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 92.1 m -48.7 124.16 7.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.186 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -63.51 -37.39 87.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 155.83 -18.91 0.49 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.526 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -49.55 -45.29 47.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.856 0.36 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.96 22.44 6.59 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.492 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -145.0 170.88 15.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.834 0.349 . . . . 0.0 110.87 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.4 pt -154.57 134.85 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.132 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -71.54 -71.72 0.25 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -157.54 -52.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.71 -45.7 74.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -72.67 -22.82 60.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -77.21 -36.2 55.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 27.7 mm -78.85 -24.07 13.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.2 m -60.16 -24.28 64.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -102.19 -18.76 15.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 89.3 m -84.64 53.85 2.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -52.91 -39.22 62.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 54.76 27.95 9.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.08 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.529 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -78.87 -64.59 0.35 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.606 0.717 . . . . 0.0 110.897 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.529 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.5 Cg_endo -69.76 -10.45 28.58 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.695 2.263 . . . . 0.0 112.359 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 101.62 26.23 7.74 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.469 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.441 ' HG ' ' HG2' ' A' ' 70' ' ' MET . 0.6 OUTLIER -77.93 -25.85 48.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.788 0.328 . . . . 0.0 110.956 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.441 ' HG2' ' HG ' ' A' ' 69' ' ' LEU . 21.2 mmt -117.67 -22.23 8.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -76.15 -18.45 59.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -131.01 41.64 3.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.892 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -131.98 -29.28 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.05 -5.03 55.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.109 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.23 -14.7 10.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.5 t -51.42 -73.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 14.1 t80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.971 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.818 0.342 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -121.48 -27.23 4.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.2 mp0 -68.94 -30.57 69.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -69.25 -22.09 63.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.1 mt -96.53 -48.74 12.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.164 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -50.87 -57.97 7.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -56.39 -31.82 64.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -31.32 71.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -99.67 1.33 43.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -113.07 58.4 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.828 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.1 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.138 -179.888 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -138.7 168.67 19.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.757 0.313 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.9 pt -127.21 135.11 64.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.56 100.01 0.83 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.405 HD22 ' N ' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -49.28 -47.09 47.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.6 t -50.03 -30.36 10.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -84.41 -31.89 24.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.946 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.4 tt -72.32 -54.83 8.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.434 ' HA ' HD13 ' A' ' 28' ' ' LEU . 9.5 t -53.39 -26.69 20.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -95.86 -20.28 18.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.18 21.89 8.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.064 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.434 HD13 ' HA ' ' A' ' 25' ' ' THR . 1.9 mt -101.46 -55.65 2.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.925 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -55.45 -30.82 61.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.7 t -64.15 -41.65 97.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.3 mt -67.38 -22.53 65.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 151.21 -27.09 0.99 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.46 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.31 169.87 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.963 0.411 . . . . 0.0 110.843 -179.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.75 -51.11 0.79 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.122 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.2 t -88.68 50.32 1.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.82 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.55 -20.19 64.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.149 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.401 ' HA ' ' CB ' ' A' ' 40' ' ' GLN . 8.1 t70 -72.05 -8.24 53.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.866 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -52.76 -29.7 28.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.0 p -124.97 -19.18 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.134 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.401 ' CB ' ' HA ' ' A' ' 37' ' ' ASP . 4.5 tm0? -53.69 -24.06 13.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -104.89 -8.98 18.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.4 mtt -138.48 49.38 1.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.43 -23.78 15.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -97.58 -2.09 42.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.08 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -111.41 16.6 20.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -116.86 -22.79 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.119 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 179.71 -53.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.8 m -48.93 114.34 0.97 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.86 -52.39 60.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 168.09 -23.33 0.11 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.486 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -46.05 -35.44 4.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.835 0.35 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 101.41 23.01 9.85 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.405 ' N ' HD22 ' A' ' 21' ' ' LEU . 84.3 m-85 -143.53 171.58 13.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.803 0.335 . . . . 0.0 110.903 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.1 pt -153.66 132.53 3.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.161 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -65.34 -73.86 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -156.74 -52.92 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.855 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -54.74 -49.68 70.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -62.56 -24.71 67.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -81.7 -35.56 29.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 47.1 mm -81.04 -26.68 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.155 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.5 t -51.57 -53.94 32.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -77.91 -11.93 59.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 27.9 t -80.23 57.21 2.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -52.37 -39.84 61.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 48.5 33.63 4.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.073 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.553 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 1.8 m-80 -86.14 -65.46 0.2 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.617 0.722 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.553 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.4 Cg_endo -69.75 -36.16 11.35 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.697 2.265 . . . . 0.0 112.306 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 132.06 29.37 0.56 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.516 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.1 -29.1 38.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.788 0.328 . . . . 0.0 110.929 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 8.1 mmt -116.66 -21.53 9.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 52.4 tttt -79.11 -18.76 52.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -125.75 44.92 2.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -136.59 -30.84 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.28 -1.69 57.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.87 -15.79 8.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 75.1 t -51.54 -73.58 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.152 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 22.8 t80 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 179.975 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.839 0.352 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.01 -20.25 5.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -76.01 -29.55 58.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -69.66 -23.42 63.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.2 mt -92.16 -48.4 13.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -50.78 -52.18 43.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -56.3 -27.29 55.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.64 -46.85 35.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -72.81 -29.37 63.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -81.06 57.79 3.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.113 -179.871 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.0 mttp -135.31 148.87 49.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.734 0.302 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.0 pt -118.42 133.27 65.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.18 102.44 1.04 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.4 HD22 ' N ' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -49.1 -44.13 41.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 t -49.11 -29.77 5.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -88.71 -31.43 18.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.2 tt -74.5 -56.5 4.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.447 ' HA ' HD13 ' A' ' 28' ' ' LEU . 6.4 t -52.44 -28.34 19.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.165 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -90.72 -23.74 20.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.87 25.74 3.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.109 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 25' ' ' THR . 3.0 mt -107.23 -48.52 3.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -16.53 60.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.9 t -80.18 -42.29 23.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.1 mt -69.96 -22.84 63.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 127.72 33.97 0.58 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.512 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 72.9 m -83.03 -174.17 5.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.934 0.397 . . . . 0.0 110.869 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.36 -49.04 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.131 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.07 16.7 5.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.84 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.31 -36.82 44.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.134 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.447 ' HA ' ' HB2' ' A' ' 40' ' ' GLN . 11.5 t70 -76.15 -28.01 57.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -54.37 -30.2 51.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.6 p -109.55 -21.76 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.15 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.447 ' HB2' ' HA ' ' A' ' 37' ' ' ASP . 1.2 tm0? -53.5 -24.49 13.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.58 15.87 13.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 8.6 mtm -150.61 30.04 0.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -89.11 -20.59 24.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -95.95 9.89 39.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.91 17.16 6.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.1 pt -115.24 -23.87 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.154 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.68 -45.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.2 m -50.5 112.72 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -119.7 -15.72 8.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -65.72 -114.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.515 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -122.56 -5.87 8.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.841 0.353 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 138.96 41.76 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.457 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.4 ' N ' HD22 ' A' ' 21' ' ' LEU . 51.6 m-85 -141.23 172.18 13.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 110.848 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.6 pt -150.82 124.99 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.171 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -56.79 -72.07 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -162.62 -51.48 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -56.0 -45.48 79.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -62.29 -31.0 71.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -71.6 -35.0 70.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 24.9 mm -79.29 -28.48 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.109 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.6 t -59.75 -55.33 35.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.827 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -69.97 -12.19 61.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 1.7 m -81.36 57.08 3.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -51.05 -40.95 59.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 47.42 47.73 16.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.569 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.9 OUTLIER -88.46 -66.79 0.15 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.598 0.713 . . . . 0.0 110.89 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.569 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.9 Cg_endo -69.73 -38.16 8.24 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.659 2.239 . . . . 0.0 112.347 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 136.05 37.8 0.18 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.511 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.35 -27.51 14.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 0.0 110.9 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 6.4 mmt -125.25 -2.13 7.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 35.8 tttm -98.31 -22.32 16.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -141.88 52.81 1.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -124.21 -27.57 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.85 -1.19 53.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.96 -9.82 9.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 24.7 t -55.04 -63.02 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.783 0.325 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -128.79 -32.2 2.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -58.01 -32.05 67.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.879 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -70.75 -24.28 62.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.7 mt -91.06 -49.25 13.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.165 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -52.98 -41.12 64.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.9 mmtt -67.96 -29.3 68.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -72.57 -43.51 63.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.942 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -79.02 -22.02 46.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -95.41 20.87 8.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.5 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.127 -179.871 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.0 mttm -91.04 168.1 11.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.75 0.31 . . . . 0.0 110.937 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.6 pt -127.13 133.43 68.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.1 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.81 95.88 0.54 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.422 HD22 ' N ' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -45.51 -44.42 12.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.902 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.4 t -47.1 -44.05 20.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -77.78 -27.97 50.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.3 tt -70.79 -55.32 8.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.447 ' HA ' HD13 ' A' ' 28' ' ' LEU . 7.1 t -54.04 -25.6 22.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -96.57 -18.67 19.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.825 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -100.31 24.79 8.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 25' ' ' THR . 3.2 mt -102.76 -51.71 3.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.46 -35.28 12.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.1 t -65.41 -41.68 93.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.7 mt -67.86 -21.79 65.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 124.24 -29.2 5.13 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.53 157.94 0.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.935 0.397 . . . . 0.0 110.859 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -115.68 4.36 14.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.145 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.7 p -97.95 46.47 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.87 -55.65 3.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.088 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -76.66 -3.14 36.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -86.53 -21.99 26.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.8 p -116.7 -20.84 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -54.05 -24.73 18.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.37 5.63 13.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.5 mtt -141.24 34.44 1.7 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.9 ptt? -88.09 -19.24 27.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -101.43 5.75 42.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.125 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -127.08 22.72 6.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.1 pt -115.53 -26.25 2.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 179.66 -54.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.6 m -50.18 126.45 14.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -119.8 -16.94 8.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -76.3 -128.5 0.29 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.48 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -84.87 -41.65 15.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.851 0.358 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 156.89 56.53 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.462 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.422 ' N ' HD22 ' A' ' 21' ' ' LEU . 51.0 m-85 -141.63 170.71 15.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.793 0.33 . . . . 0.0 110.903 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.8 pt -154.12 126.6 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -61.15 -70.22 0.19 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -161.55 -48.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -56.16 -51.67 67.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -62.52 -27.88 69.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -72.07 -26.86 62.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 39.2 mm -85.12 -29.38 6.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 39.7 t -51.39 -55.03 20.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.83 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -77.25 -14.13 59.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 18.5 t -83.81 54.78 3.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -53.28 -39.9 64.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 49.68 41.77 22.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.122 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.565 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -85.89 -66.0 0.2 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.647 0.737 . . . . 0.0 110.922 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.565 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.5 Cg_endo -69.84 -36.86 9.82 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.614 2.209 . . . . 0.0 112.359 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 133.11 34.55 0.32 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.446 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.68 -32.74 27.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.852 0.358 . . . . 0.0 110.933 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 5.3 mmt -115.57 -21.7 9.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -82.82 -32.12 27.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -99.9 30.33 3.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.894 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -129.27 -32.57 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.06 -29.74 63.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.8 mmmt -90.92 -14.08 32.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -88.62 165.49 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 14.9 t80 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.752 0.311 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -118.64 -26.56 6.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -58.25 -50.2 74.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 33.3 ttt85 -57.57 -24.28 55.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.884 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.0 mt -85.4 -51.04 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -51.27 -59.9 3.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -51.9 -30.98 26.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.58 -48.4 60.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.845 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -80.12 0.15 33.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -98.01 49.44 1.01 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.166 -179.883 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.1 mtmt -91.2 -178.55 5.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.789 0.328 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 36.0 pt -145.21 134.64 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.04 104.05 1.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.401 HD22 ' N ' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -49.96 -49.26 50.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.92 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.9 t -50.59 -29.98 12.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.801 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -84.12 -31.43 25.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.4 tt -75.32 -55.33 5.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.954 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.424 ' HA ' HD13 ' A' ' 28' ' ' LEU . 9.2 t -53.13 -26.11 15.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -95.43 -22.23 17.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.26 21.27 7.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.079 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' A' ' 25' ' ' THR . 1.8 mt -101.16 -52.14 3.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 44.7 ttt180 -57.05 -22.15 36.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.3 t -79.49 -15.02 58.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.2 mt -94.99 4.78 53.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 105.15 19.92 10.24 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.47 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 m -92.96 161.87 14.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.91 0.386 . . . . 0.0 110.827 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.38 9.19 3.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.103 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.2 m -132.65 36.49 3.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.827 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.97 -37.46 26.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.086 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -68.47 -26.55 65.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.823 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -55.3 -52.43 63.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.439 ' HA ' ' HG2' ' A' ' 42' ' ' MET . 5.9 p -85.72 -13.7 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.67 -15.38 39.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.921 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.43 10.99 14.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.439 ' HG2' ' HA ' ' A' ' 39' ' ' VAL . 0.6 OUTLIER -145.39 15.05 1.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.3 tpt -80.61 -17.21 52.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -100.13 10.37 41.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.124 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -137.53 25.94 2.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.5 pp -121.16 -26.16 2.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.165 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -159.82 -61.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.8 m -49.89 136.97 17.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -78.53 -75.33 0.23 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -162.57 57.9 0.29 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.5 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -132.76 -53.44 0.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.852 0.358 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 116.49 22.24 4.48 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.472 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.401 ' N ' HD22 ' A' ' 21' ' ' LEU . 55.2 m-85 -143.11 172.14 13.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 110.864 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.0 pt -153.91 132.58 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.122 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -67.48 -70.03 0.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -160.18 -53.34 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -54.21 -43.34 70.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.23 -16.5 62.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -89.59 -21.75 22.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 33.1 mm -93.25 -30.8 4.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.168 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.3 t -50.15 -60.49 2.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -72.39 -22.9 61.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 17.2 t -90.01 87.28 6.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -101.01 -12.29 18.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 44.92 42.19 5.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.088 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.57 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -84.66 -66.94 0.2 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.592 0.711 . . . . 0.0 110.902 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.57 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.6 Cg_endo -69.76 -10.11 27.75 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.689 2.26 . . . . 0.0 112.366 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.03 35.35 4.83 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.45 -28.34 19.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.79 0.328 . . . . 0.0 110.97 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 7.1 mmt -116.66 -21.34 9.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.7 tptt -80.32 -29.97 38.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -106.53 34.59 3.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -126.95 -29.22 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.169 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.92 1.37 52.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.109 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -116.87 -22.32 8.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 80.4 t -60.67 -73.94 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.148 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 7.9 t80 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.979 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.797 0.332 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.42 -31.72 3.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -57.46 -49.78 75.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.91 -27.36 18.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.4 mt -90.53 -37.16 9.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -66.74 -37.34 84.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.3 mtpp -74.24 -22.56 59.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.57 -44.01 25.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -79.21 -22.26 45.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -81.92 57.11 3.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.109 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 41.6 mttt -91.33 166.86 12.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.735 0.302 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 29.9 pt -126.78 135.63 63.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.29 106.1 1.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -44.49 -50.47 9.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.933 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.6 t -49.24 -45.31 44.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.834 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -64.0 -30.94 71.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.9 tt -79.14 -58.37 3.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.443 ' HA ' HD13 ' A' ' 28' ' ' LEU . 11.1 t -54.49 -23.12 14.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -95.74 -18.6 20.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -103.62 28.47 6.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.069 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' ' 25' ' ' THR . 1.5 mt -105.93 -54.09 2.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.949 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.7 ttt-85 -56.71 -25.22 53.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.1 t -80.01 -15.82 56.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.121 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.3 mt -102.74 17.62 23.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.47 50.95 4.53 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.7 m -117.0 144.09 44.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.012 0.434 . . . . 0.0 110.856 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.86 -50.04 4.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.101 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.17 72.93 9.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -103.54 -53.18 2.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.137 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -61.93 -18.63 60.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -54.87 -29.45 55.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.6 p -116.2 -23.22 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.131 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.7 tm0? -54.69 -23.01 15.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -117.62 10.14 13.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 11.0 mtt -147.18 31.55 0.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 11.4 ptt? -80.06 -26.18 39.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -91.78 15.15 13.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -138.82 26.46 2.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -118.63 -34.27 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -169.78 -64.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.9 t -48.18 164.31 0.05 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -152.13 -38.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -65.05 -146.07 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.447 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -49.15 -37.04 20.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.811 0.339 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 130.95 63.98 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.476 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -139.64 173.44 11.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.775 0.322 . . . . 0.0 110.888 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 6.6 pt -152.05 132.8 4.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.118 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -72.21 -59.28 2.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -169.04 -52.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -52.12 -45.27 64.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -73.72 -23.51 59.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -75.21 -35.31 61.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 27.2 mm -79.66 -30.45 13.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.1 t -52.22 -58.51 6.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.836 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -73.13 -14.67 61.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 30.4 t -79.93 57.82 2.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -52.85 -40.21 63.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 47.2 36.07 4.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.543 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 1.1 m-80 -84.88 -65.04 0.22 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.653 0.74 . . . . 0.0 110.926 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.543 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.6 Cg_endo -69.73 -37.21 9.55 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.638 2.225 . . . . 0.0 112.359 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 134.11 36.58 0.24 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.37 -32.73 22.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.751 0.31 . . . . 0.0 110.874 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.45 -20.82 7.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -82.96 -31.78 27.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -105.36 34.94 3.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -132.48 -31.25 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.165 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.48 -20.32 30.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.089 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.28 -9.84 17.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 8.9 t -89.12 161.67 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.142 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 32.0 p90 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.974 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.835 0.35 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -122.78 -27.51 4.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -68.74 -26.54 65.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -74.01 -22.1 59.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.9 mt -94.24 -52.25 9.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.161 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -52.0 -40.79 61.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -68.84 -30.7 69.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.937 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.3 -43.98 66.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -79.2 -22.08 45.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -78.78 57.55 2.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.8 p . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 -179.915 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.6 mttm -92.28 -173.82 3.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.811 0.339 . . . . 0.0 110.848 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 46.2 pt -145.71 137.52 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.28 100.46 0.63 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -44.54 -54.79 5.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.3 p -49.9 -44.63 50.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -63.87 -31.18 72.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.9 tt -78.7 -58.74 3.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.413 ' HA ' HD13 ' A' ' 28' ' ' LEU . 9.4 t -54.33 -22.84 13.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -96.68 -19.66 18.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -100.07 24.34 8.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 25' ' ' THR . 1.9 mt -103.68 -57.74 1.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.32 -21.9 38.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.4 t -79.57 -15.12 58.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 33.7 mt -102.17 11.75 37.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.44 56.5 2.51 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.45 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.7 m -115.91 -169.62 1.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.943 0.402 . . . . 0.0 110.854 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.17 -50.2 0.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 m -87.53 72.14 9.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -114.65 -52.66 2.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -70.98 -26.02 62.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -56.55 -29.9 62.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.4 ' HA ' ' CG ' ' A' ' 42' ' ' MET . 4.8 p -112.87 -14.15 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.069 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -61.73 -15.43 40.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.2 ptp85 -120.65 11.3 11.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.4 ' CG ' ' HA ' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -147.9 21.14 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.1 ptt? -75.2 -22.86 57.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.41 16.47 11.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -138.55 22.51 2.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -116.59 -25.94 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -173.88 -49.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.4 m -54.89 103.32 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.102 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -55.44 -35.91 65.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 151.21 44.48 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.465 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -111.93 -10.53 13.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.807 0.337 . . . . 0.0 110.848 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 75.33 0.53 62.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.471 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -135.14 173.71 11.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 6.4 pt -151.38 133.51 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.164 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -67.5 -67.97 0.42 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -162.88 -52.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -51.78 -49.08 63.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.54 -28.98 70.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -76.21 -31.07 58.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 35.3 mm -85.23 -25.12 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 60.4 m -55.74 -53.46 56.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.814 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -79.36 -18.04 53.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 9.7 t -93.94 91.3 6.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -105.84 -12.05 16.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 42.34 50.88 4.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.074 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.576 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -87.7 -67.09 0.16 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.642 0.735 . . . . 0.0 110.936 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.576 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 54.2 Cg_endo -69.83 -36.67 10.2 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.686 2.258 . . . . 0.0 112.338 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 132.19 34.0 0.39 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.504 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.407 ' HG ' ' HG2' ' A' ' 70' ' ' MET . 0.5 OUTLIER -85.87 -33.08 21.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.806 0.336 . . . . 0.0 110.908 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.407 ' HG2' ' HG ' ' A' ' 69' ' ' LEU . 48.1 mmm -115.84 -21.32 9.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.0 tttt -72.82 -21.89 60.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -129.48 44.85 2.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.822 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -132.81 -29.33 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.02 -4.08 55.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.104 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.72 -13.33 9.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.5 t -50.58 -71.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 48.2 p90 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.982 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.813 0.34 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -125.16 -30.66 3.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.5 mp0 -57.46 -24.6 56.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -78.94 -18.72 53.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -101.29 -39.86 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.107 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -54.04 -59.81 4.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -56.04 -28.66 58.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -67.14 -47.17 71.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -78.94 -22.37 45.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -94.85 23.84 5.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.816 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.12 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.3 mttm -135.97 171.35 14.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.765 0.317 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.7 pt -127.9 134.49 65.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.162 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.61 97.97 0.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.815 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.455 HD22 ' HA ' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -48.14 -44.54 32.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.5 t -48.45 -30.97 5.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -88.36 -31.13 19.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.4 tt -72.01 -53.77 11.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.922 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.434 ' HA ' HD13 ' A' ' 28' ' ' LEU . 5.4 t -53.24 -28.03 25.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.138 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -94.66 -20.41 19.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.855 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.96 22.89 6.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.434 HD13 ' HA ' ' A' ' 25' ' ' THR . 2.1 mt -102.89 -55.21 2.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -54.64 -37.17 65.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.1 t -65.31 -15.2 62.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 36.2 mt -100.46 13.34 34.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.916 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.67 -33.51 5.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.472 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.8 m -48.82 164.35 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.001 0.429 . . . . 0.0 110.876 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.42 -50.48 1.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.174 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 89.3 p -86.92 63.99 8.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.829 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.72 -33.56 46.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.067 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -61.62 -16.71 50.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -51.91 -29.81 21.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.7 p -118.85 -21.56 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.4 tm0? -54.35 -23.56 15.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -120.59 5.04 10.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -134.04 24.2 3.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 9.8 ptt? -78.81 -20.55 49.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.58 2.29 44.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -121.2 15.27 11.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.2 pt -110.83 -33.0 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -179.65 -45.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.0 m -51.51 115.85 1.81 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.155 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -117.58 -17.95 9.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.861 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -66.72 -117.17 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -112.17 -20.14 12.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.883 0.373 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 145.24 55.27 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.45 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.455 ' HA ' HD22 ' A' ' 21' ' ' LEU . 87.6 m-85 -146.13 169.52 18.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.787 0.327 . . . . 0.0 110.902 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 6.7 pt -154.54 127.17 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.124 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -69.28 -67.2 0.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -161.07 -53.65 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -51.9 -45.16 64.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -72.27 -29.42 63.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -71.85 -29.7 64.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.876 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 30.1 mm -85.14 -21.91 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.152 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.4 p -58.94 -45.87 89.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -88.53 -20.92 24.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 17.8 m -86.91 49.58 1.84 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -61.32 -39.43 90.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 58.59 46.23 14.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.109 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.551 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -79.46 -65.75 0.29 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.618 0.723 . . . . 0.0 110.874 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.551 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.7 Cg_endo -69.79 -37.41 9.14 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.672 2.248 . . . . 0.0 112.308 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 136.01 38.74 0.17 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.449 ' HG ' ' HG2' ' A' ' 70' ' ' MET . 0.4 OUTLIER -87.84 -30.92 19.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.821 0.343 . . . . 0.0 110.918 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.449 ' HG2' ' HG ' ' A' ' 69' ' ' LEU . 17.7 mmm -113.37 -21.7 10.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.0 tttt -82.9 -32.28 27.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -97.98 22.97 8.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -126.53 -31.27 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.181 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.05 -30.31 61.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.7 mmmt -90.33 -15.49 31.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.8 t -88.37 165.5 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.144 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.804 0.335 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.51 -29.03 4.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -69.45 -22.89 63.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 21.4 tpp180 -78.2 -25.05 46.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -97.91 -40.1 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.097 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -54.68 -59.25 4.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -55.82 -29.45 59.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.05 -45.57 77.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -79.17 -22.85 44.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -81.65 57.07 3.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 -179.835 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -92.01 -174.51 3.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.807 0.337 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.1 pt -145.64 133.03 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.61 101.37 1.01 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.835 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.407 HD22 ' N ' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -49.15 -46.36 45.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.932 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.2 t -49.13 -30.3 6.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -88.51 -31.68 18.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.4 tt -71.83 -55.04 8.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.435 ' HA ' HD13 ' A' ' 28' ' ' LEU . 10.0 t -52.92 -25.82 13.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.139 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -96.99 -21.48 17.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.855 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.07 19.05 9.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.435 HD13 ' HA ' ' A' ' 25' ' ' THR . 1.9 mt -98.47 -55.19 2.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.21 -34.85 24.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.0 t -61.95 -41.54 98.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 17.2 mt -67.2 -27.51 67.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 118.84 51.29 0.3 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.476 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -120.87 -178.09 3.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.986 0.422 . . . . 0.0 110.851 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -125.29 3.36 7.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.137 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 99.5 p -116.45 70.6 0.77 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.96 -15.55 8.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.432 ' HA ' ' HB2' ' A' ' 40' ' ' GLN . 0.7 OUTLIER -115.06 -32.87 5.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -57.84 -50.53 73.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.2 p -83.28 -19.67 9.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.084 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.432 ' HB2' ' HA ' ' A' ' 37' ' ' ASP . 0.0 OUTLIER -53.12 -24.47 10.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.88 14.54 12.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.819 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 12.6 mtt -143.03 21.09 1.94 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.4 ttt -84.44 -18.18 36.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -98.46 3.41 48.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.099 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -114.98 -6.16 12.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.1 pt -92.88 -32.77 5.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.106 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -167.06 -55.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 91.5 m -48.09 111.62 0.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -62.93 -77.22 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -161.94 42.53 0.38 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.501 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -112.27 -42.15 3.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.869 0.366 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.83 22.01 11.51 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.51 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.407 ' N ' HD22 ' A' ' 21' ' ' LEU . 92.4 m-85 -147.83 171.92 14.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.831 0.348 . . . . 0.0 110.885 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 6.1 pt -153.75 132.57 3.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.11 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -67.72 -68.63 0.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -163.38 -53.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -51.03 -44.93 61.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -72.5 -25.43 61.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -75.96 -36.09 59.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 23.6 mm -76.94 -28.22 16.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.88 -53.38 41.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -85.01 -24.3 28.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 11.2 t -87.52 47.04 1.44 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -61.03 -40.41 93.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 57.0 38.41 29.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.103 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.542 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -77.82 -64.78 0.39 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.615 0.722 . . . . 0.0 110.902 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.542 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.2 Cg_endo -69.77 -8.35 23.38 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.67 2.247 . . . . 0.0 112.307 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.28 51.14 1.36 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.449 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -103.7 -30.58 10.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.82 0.343 . . . . 0.0 110.884 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 8.3 mmt -116.75 -21.25 9.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.4 tttm -77.07 -28.96 54.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -102.9 32.83 3.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -133.44 -33.35 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.68 -31.18 67.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.095 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.63 -15.1 33.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.6 t -89.98 170.58 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.843 0.354 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -118.02 -24.86 6.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -68.88 -32.3 71.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -69.33 -22.17 63.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.7 mt -95.35 -49.15 12.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -52.29 -38.97 59.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -72.12 -28.57 63.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.24 -43.2 64.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -79.1 -23.63 43.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -81.63 57.23 3.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.168 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.9 mttm -91.9 -171.68 2.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.762 0.315 . . . . 0.0 110.924 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 37.2 pt -146.79 147.04 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.126 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.432 ' CB ' ' HB2' ' A' ' 23' ' ' GLU . 67.8 m -58.5 112.46 1.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.534 ' C ' ' CD2' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -71.72 -65.85 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.932 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.4 m -48.94 -19.8 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.432 ' HB2' ' CB ' ' A' ' 20' ' ' SER . 41.4 mm-40 -91.19 -28.8 17.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.5 tt -70.17 -54.83 11.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.9 t -53.33 -25.24 14.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -97.35 -21.14 17.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.07 17.76 10.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.3 mt -99.45 -50.48 4.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -56.69 -22.79 37.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.4 t -79.29 -15.34 58.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 27.8 mt -102.73 12.18 36.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.37 57.87 4.12 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.511 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -121.48 -178.43 3.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.99 0.424 . . . . 0.0 110.832 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.68 12.1 3.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.138 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.5 t -119.28 35.59 4.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.88 -54.8 3.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.138 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.59 -3.75 39.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -85.85 -52.65 5.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.8 p -77.43 -20.21 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.44 -25.31 9.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.0 ptp85 -123.45 -2.89 8.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 11.5 mtt -114.55 11.57 17.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 9.9 ptt? -75.56 -24.73 56.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -97.36 14.59 25.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -136.93 17.45 3.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.1 pt -114.79 -32.89 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 179.57 -45.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.11 115.43 1.71 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.142 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -57.42 -75.28 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -173.91 44.43 0.15 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -112.74 -37.9 4.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.836 0.351 . . . . 0.0 110.837 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.65 23.37 8.85 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.477 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -147.35 173.32 12.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.823 0.344 . . . . 0.0 110.884 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 6.9 pt -153.09 129.1 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -68.09 -65.19 0.73 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -165.14 -53.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -52.4 -50.33 62.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.836 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -63.08 -29.4 70.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -72.97 -36.62 67.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 27.9 mm -77.42 -23.34 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.113 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.1 t -60.56 -46.42 90.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -78.47 -16.38 57.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 61.0 m -84.83 53.15 2.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -60.57 -39.18 87.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 60.26 38.46 19.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.55 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -84.09 -65.4 0.22 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.584 0.707 . . . . 0.0 110.892 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.55 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 54.2 Cg_endo -69.71 -37.13 9.72 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.706 2.271 . . . . 0.0 112.375 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 134.08 34.76 0.28 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.508 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.405 ' HG ' ' HG2' ' A' ' 70' ' ' MET . 0.7 OUTLIER -87.21 -23.31 24.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.828 0.346 . . . . 0.0 110.953 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.405 ' HG2' ' HG ' ' A' ' 69' ' ' LEU . 28.8 mmm -116.58 -21.87 8.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.6 tttm -83.39 -17.99 40.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.935 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -130.01 46.56 2.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -137.21 -30.42 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.116 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.23 -4.55 58.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.092 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.54 -13.0 9.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 79.7 t -51.28 -73.58 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 7.9 t80 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.976 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.784 0.326 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -128.38 -32.24 2.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 22.8 mp0 -58.96 -29.94 67.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.9 ttp85 -70.78 -19.35 62.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.91 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -101.94 -41.02 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -54.93 -61.82 2.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -53.08 -29.52 30.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -50.92 60.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -80.9 0.26 36.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -91.69 49.55 1.59 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.189 -179.913 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.563 -0.215 . . . . 0.0 112.563 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.4 mtpt -92.09 177.22 6.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.797 0.332 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.8 pt -145.69 134.5 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.95 97.05 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -48.62 -44.78 37.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 83.6 p -48.37 -30.23 4.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -87.53 -32.38 19.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.4 tt -72.86 -55.73 6.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.406 ' HA ' HD13 ' A' ' 28' ' ' LEU . 10.2 t -53.08 -25.61 13.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -96.12 -21.42 17.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.825 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.7 21.24 7.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 25' ' ' THR . 2.1 mt -102.11 -53.14 2.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.7 ttt180 -56.79 -22.8 38.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.6 t -79.57 -15.24 58.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.5 mt -100.48 10.08 41.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.961 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.01 51.8 2.19 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.455 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 m -123.57 161.05 25.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.947 0.403 . . . . 0.0 110.818 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.56 3.77 5.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.132 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 63.5 p -127.83 50.72 2.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -103.08 -37.0 7.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.101 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -69.9 -23.14 63.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.837 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -56.19 -54.59 43.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.44 ' HA ' ' HG2' ' A' ' 42' ' ' MET . 6.1 p -84.56 -12.21 11.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.115 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.38 -12.54 31.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.944 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.57 5.4 7.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.44 ' HG2' ' HA ' ' A' ' 39' ' ' VAL . 3.3 ptm -132.19 3.14 3.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 16.2 ptt? -61.82 -16.87 53.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.831 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -102.15 21.12 15.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.072 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -150.39 31.7 0.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -121.35 -77.74 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -139.17 -25.71 0.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 45.5 m -43.43 121.75 2.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.168 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -123.79 -9.98 7.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -87.89 27.78 6.42 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 53.64 37.65 26.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.347 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 122.51 23.32 2.36 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -147.83 170.57 17.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.794 0.33 . . . . 0.0 110.875 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.0 pt -155.37 119.76 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.131 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -57.19 -70.96 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -162.69 -52.52 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -56.03 -26.25 48.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -88.4 -30.09 19.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -73.74 -25.54 60.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 31.8 mm -88.27 -30.35 5.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.16 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.67 -55.68 18.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -78.43 -19.15 53.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 35.4 t -95.33 82.75 3.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 48.4 m-20 -100.33 -12.9 19.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 45.02 45.0 8.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.116 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.554 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -80.98 -66.29 0.24 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.595 0.712 . . . . 0.0 110.889 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.554 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.9 Cg_endo -69.77 -10.1 27.72 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.702 2.268 . . . . 0.0 112.327 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.05 37.97 3.96 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.513 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.401 ' HG ' ' HG2' ' A' ' 70' ' ' MET . 0.6 OUTLIER -95.47 -28.28 14.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.832 0.349 . . . . 0.0 110.915 -179.9 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.401 ' HG2' ' HG ' ' A' ' 69' ' ' LEU . 11.2 mmt -113.14 -21.19 11.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.4 tttm -82.83 -31.25 28.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -103.5 30.42 5.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -125.05 -28.48 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.186 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.39 -2.87 57.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.6 mmtm -112.12 -22.81 10.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 88.5 t -63.83 -41.26 91.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 13.7 t80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.825 0.345 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -117.52 -31.04 5.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -59.1 -19.76 47.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 19.4 ttt85 -86.92 -6.73 58.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -115.99 -39.35 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -51.93 -56.55 13.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -64.73 -19.54 65.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.53 -32.0 63.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.841 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -100.75 -24.03 14.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -92.02 14.25 16.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.3 mttp -92.15 169.61 10.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.767 0.317 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.0 pt -127.27 133.76 67.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.137 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.16 98.26 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.433 HD22 ' N ' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -47.93 -43.32 28.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.6 p -47.43 -29.87 2.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -90.09 -32.2 16.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.4 tt -72.11 -55.38 7.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.411 ' HA ' HD13 ' A' ' 28' ' ' LEU . 9.2 t -53.28 -25.42 14.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -97.3 -20.71 17.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.12 17.7 12.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' A' ' 25' ' ' THR . 1.9 mt -98.17 -57.21 2.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.03 -34.67 63.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.4 t -64.32 -15.22 59.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 28.0 mt -102.99 3.2 35.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.62 15.09 30.35 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 74.1 m -64.87 -174.18 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.939 0.4 . . . . 0.0 110.846 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.23 -51.27 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.8 m -89.58 51.97 2.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.97 -37.23 12.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.061 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -83.71 -1.7 54.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -85.46 -52.43 5.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.9 p -82.46 -15.19 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -49.74 -27.87 5.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -117.77 -8.71 10.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.1 mtt -110.84 18.7 19.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 24.4 tpp -82.34 -24.52 34.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.836 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.42 1.86 57.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.112 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -116.44 15.5 15.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.1 pt -115.61 -27.95 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 179.15 -50.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.6 m -49.66 113.13 0.77 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.166 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -119.61 -16.14 8.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -70.53 -139.69 0.17 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.474 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -85.54 -5.7 59.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.905 0.383 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 123.72 55.56 0.19 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.433 ' N ' HD22 ' A' ' 21' ' ' LEU . 72.4 m-85 -143.5 169.78 17.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.365 . . . . 0.0 110.842 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.5 pt -155.34 127.57 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.134 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -69.53 -66.2 0.62 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -161.86 -52.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -54.74 -45.31 74.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -72.55 -24.35 61.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -79.23 -24.11 43.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 39.7 mm -91.91 -25.21 5.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.9 m -61.62 -28.3 69.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -90.94 -23.54 20.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 7.3 m -79.32 57.77 2.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 35.5 m-20 -51.92 -38.39 56.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 64.67 30.09 12.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.566 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -94.85 -66.46 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.615 0.721 . . . . 0.0 110.907 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.566 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 54.0 Cg_endo -69.68 -6.57 18.89 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.659 2.24 . . . . 0.0 112.384 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 86.99 25.07 35.46 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.493 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.3 pp -67.39 -37.0 82.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.784 0.326 . . . . 0.0 110.939 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.3 ppp? -114.54 -21.11 10.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.6 tttp -69.87 -24.79 63.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.912 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.03 35.69 4.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -127.09 -29.49 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.187 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.99 2.38 43.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.072 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.05 -10.79 8.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.6 t -66.52 -68.48 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.163 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 6.6 t80 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.819 -179.959 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.844 0.354 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -120.45 -29.98 4.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -57.86 -35.96 71.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 -69.12 -22.17 63.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.8 mt -92.18 -48.92 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.109 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -51.81 -57.2 10.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -56.07 -26.77 50.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -45.92 55.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.873 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -78.8 -21.38 47.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -80.23 57.24 2.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.9 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.104 -179.867 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.4 mttp -136.26 176.78 8.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.78 0.324 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.7 pt -126.93 147.09 31.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.181 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.9 p -57.51 112.61 1.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.549 ' C ' ' CD2' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -69.68 -68.13 0.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.8 p -48.61 -20.87 0.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -90.76 -30.26 17.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.5 tt -70.2 -54.59 12.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.403 ' HA ' HD13 ' A' ' 28' ' ' LEU . 10.1 t -53.16 -25.72 14.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -97.45 -20.53 17.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.63 18.48 9.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.126 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 25' ' ' THR . 2.3 mt -99.87 -58.54 1.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.961 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.0 ttt85 -51.51 -33.5 32.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.2 t -61.26 -42.13 98.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.3 mt -72.79 -0.75 14.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 102.77 12.8 31.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.451 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.1 m -60.3 -172.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.941 0.401 . . . . 0.0 110.878 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.09 -50.64 0.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.108 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.4 p -87.6 54.22 3.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.2 -52.33 8.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.078 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -73.64 -26.0 60.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -55.47 -30.74 61.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.0 p -110.64 -20.26 6.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.179 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -53.13 -24.5 10.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.78 15.8 11.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.6 mtt -141.81 17.43 2.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.98 -24.22 35.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -90.63 8.76 32.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -124.39 5.47 8.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -113.19 -19.69 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -177.47 -57.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.02 121.98 6.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -77.38 -22.95 50.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.849 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 141.99 -10.05 2.55 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -58.38 -17.96 24.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.828 0.347 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.13 27.27 60.35 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.51 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -150.15 172.96 14.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.894 0.378 . . . . 0.0 110.863 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.9 pt -153.95 121.56 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.159 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -64.3 -62.12 1.81 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -168.21 -52.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -58.82 -24.77 62.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -88.02 -16.2 34.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -90.01 -26.96 20.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 33.7 mm -87.01 -22.17 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.108 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 80.2 p -60.44 -46.0 91.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -86.61 -22.18 26.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 10.6 m -84.1 51.99 2.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -60.92 -38.67 86.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 62.46 40.81 10.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.548 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -79.5 -65.29 0.3 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.614 0.721 . . . . 0.0 110.876 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.548 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.9 Cg_endo -69.73 -9.52 26.31 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.671 2.247 . . . . 0.0 112.358 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.24 36.65 5.11 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.478 ' HG ' ' HG2' ' A' ' 70' ' ' MET . 0.6 OUTLIER -88.86 -28.29 20.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.832 0.349 . . . . 0.0 110.937 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.478 ' HG2' ' HG ' ' A' ' 69' ' ' LEU . 27.9 mmm -99.04 -22.52 15.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -85.63 -32.24 22.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -96.26 28.34 3.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.899 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -130.88 -28.82 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.088 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.42 0.69 51.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.06 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.7 -10.35 8.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 51.3 t -58.68 -71.63 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 86.9 t80 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.979 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.839 0.352 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -126.36 -31.35 2.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -56.8 -49.71 74.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 41.7 ttm-85 -53.48 -26.61 21.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.804 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.4 mt -88.34 -52.69 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -50.62 -58.44 5.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.4 mtpt -56.14 -25.24 45.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.26 -47.7 33.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -76.83 -21.67 54.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -83.16 55.84 3.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.3 p . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 -179.866 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -71.18 178.94 3.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.726 0.298 . . . . 0.0 110.939 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.2 pt -127.05 146.83 32.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.129 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.471 ' CB ' ' HB2' ' A' ' 23' ' ' GLU . 58.8 m -58.23 113.56 1.99 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.569 ' C ' ' CD2' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -68.24 -66.88 0.51 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.912 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.4 t -46.42 -22.44 0.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.471 ' HB2' ' CB ' ' A' ' 20' ' ' SER . 0.4 OUTLIER -88.86 -33.37 17.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.921 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 21' ' ' LEU . 10.4 tt -71.65 -55.69 7.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.942 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.413 ' HA ' HD13 ' A' ' 28' ' ' LEU . 8.3 t -52.53 -25.95 11.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -97.12 -20.99 17.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.79 18.88 9.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.093 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 25' ' ' THR . 2.1 mt -99.56 -56.46 2.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.4 ptt85 -54.47 -35.8 63.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.1 t -57.72 -42.36 83.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.4 mt -68.82 -22.52 64.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 117.74 46.61 0.47 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.484 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.6 p -109.19 170.3 8.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.942 0.401 . . . . 0.0 110.892 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.57 10.47 5.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 77.1 p -125.69 52.85 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -102.21 -57.12 2.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -71.34 -7.61 48.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -85.89 -25.78 25.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.9 p -111.86 -17.21 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.104 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -50.79 -25.4 4.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.933 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.6 ptt180 -121.06 -9.85 9.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 4.4 mmt -106.37 12.47 29.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.1 tpt -80.55 -27.37 37.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.74 8.67 27.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -126.94 16.69 7.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -123.52 -33.03 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.086 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -167.63 -58.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -48.38 109.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -51.73 -36.97 49.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 146.97 -13.75 1.49 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.518 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -49.79 -35.36 22.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.88 0.371 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 101.99 26.42 7.48 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.466 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -150.03 172.7 14.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.826 0.346 . . . . 0.0 110.883 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 11.3 pt -153.13 129.72 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.158 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -73.55 -62.81 1.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -165.47 -53.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -52.01 -44.44 64.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -71.84 -26.73 62.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -77.56 -23.68 50.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.838 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 39.8 mm -94.05 -32.77 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -50.61 -59.4 4.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -19.14 61.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 28.6 t -95.72 85.01 4.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -99.87 -13.7 19.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 43.2 37.79 1.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.083 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.555 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -79.59 -65.69 0.29 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.597 0.713 . . . . 0.0 110.855 -179.91 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.555 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 54.2 Cg_endo -69.79 -9.49 26.22 Favored 'Trans proline' 0 C--O 1.231 0.132 0 C-N-CA 122.675 2.25 . . . . 0.0 112.368 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.35 34.08 5.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.32 -27.4 18.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.845 0.355 . . . . 0.0 110.965 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 10.9 mmt -115.4 -21.4 9.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.36 -26.9 56.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -110.2 33.87 4.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -127.61 -29.3 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.01 -3.19 57.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.3 mmtm -112.99 -21.74 10.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 77.4 t -57.38 -74.26 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.101 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.0 t80 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.827 0.346 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -125.29 -28.5 3.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -57.05 -34.47 68.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 72.6 ttt-85 -70.27 -10.75 59.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -106.45 -34.6 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -66.92 -50.83 61.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -64.0 -23.21 67.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -75.56 -45.33 38.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -79.17 -23.59 43.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -81.41 57.28 3.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.167 -179.894 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.9 mttm -72.9 171.38 12.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.801 0.334 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.5 pt -127.02 146.19 33.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.093 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 64.7 m -58.26 112.68 1.63 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.529 ' C ' ' CD2' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -68.51 -65.67 0.67 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.5 t -48.29 -20.32 0.38 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.831 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -90.08 -29.99 17.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.3 tt -70.5 -55.88 7.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.954 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.1 t -53.18 -25.11 12.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.148 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -96.97 -21.21 17.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.16 22.92 6.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.136 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.1 mt -103.7 -52.72 2.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.9 mmm-85 -65.43 -17.23 64.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.9 t -80.15 -14.94 58.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.108 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.1 mt -102.84 10.75 38.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 90.78 46.75 3.87 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.543 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.7 m -113.97 168.11 10.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.985 0.421 . . . . 0.0 110.849 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -133.8 7.64 3.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.106 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.3 m -126.11 55.54 1.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -114.37 -37.69 4.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.077 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -74.34 -6.69 49.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -85.85 -29.63 23.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.419 ' HA ' ' HG2' ' A' ' 42' ' ' MET . 4.7 p -105.43 -13.24 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.07 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -61.59 -15.28 37.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -127.7 6.8 6.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.419 ' HG2' ' HA ' ' A' ' 39' ' ' VAL . 0.3 OUTLIER -127.82 -1.52 5.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 11.3 ptt? -60.02 -18.45 46.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -98.37 20.54 12.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.096 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -148.25 26.66 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -121.62 -32.82 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.187 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -176.21 -44.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 97.0 m -51.39 114.48 1.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -56.0 -35.14 66.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 151.26 -18.84 0.93 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.459 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -51.84 -40.55 60.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.866 0.365 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.62 23.29 7.61 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -142.83 177.52 8.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.883 0.373 . . . . 0.0 110.854 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.7 pt -153.44 130.36 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.143 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -70.5 -64.89 0.81 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -163.84 -50.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -58.82 -49.56 77.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -59.25 -29.93 67.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -71.95 -48.32 46.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 31.5 mm -70.57 -20.28 22.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.159 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.4 p -52.6 -46.9 67.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.849 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -101.15 -18.87 15.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 73.1 m -88.62 63.8 7.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -97.03 -8.74 29.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 56.29 50.34 13.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.544 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -82.41 -65.54 0.24 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.615 0.722 . . . . 0.0 110.854 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.544 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.9 Cg_endo -69.73 -36.44 10.87 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.65 2.233 . . . . 0.0 112.325 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 134.19 33.22 0.32 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.528 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.32 -30.46 23.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.802 0.334 . . . . 0.0 110.92 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 17.0 mmt -117.14 -21.15 8.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -74.57 -20.91 59.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -129.93 42.82 3.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -136.52 -30.26 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.129 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.24 -5.57 49.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.112 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.31 -20.92 10.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.9 t -51.29 -73.09 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 26.2 t80 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.97 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.787 0.327 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -124.79 -29.14 3.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -57.47 -37.61 73.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 56.9 ttt-85 -72.15 -9.5 58.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.5 mt -100.46 -59.2 3.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -50.24 -57.57 7.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.4 mmtp -53.72 -28.29 33.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -74.4 -47.97 30.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -80.59 0.48 33.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -95.4 48.54 1.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.0 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.172 -179.918 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 66.4 mttt -136.34 173.55 11.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.756 0.312 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.5 pt -127.23 146.19 33.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 72.5 m -60.82 97.81 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.517 ' C ' ' CD2' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -53.86 -68.24 0.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.924 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.2 t -47.38 -22.11 0.39 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -84.98 -31.38 23.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.886 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 21' ' ' LEU . 10.5 tt -70.85 -54.32 11.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.922 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.8 t -53.38 -25.97 17.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -96.71 -20.72 18.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.28 23.88 5.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.161 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 mt -104.82 -50.79 3.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -55.43 -21.62 16.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.5 t -78.22 -41.27 34.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.106 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.1 mt -68.9 -22.61 64.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.63 60.74 1.08 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.471 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.6 -9.21 8.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.932 0.396 . . . . 0.0 110.814 -179.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 54.1 22.65 3.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.089 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.5 m -128.0 59.92 1.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.841 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -110.25 -51.89 2.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.085 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -76.13 -1.74 27.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -85.89 -26.23 25.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.7 p -112.0 -21.98 5.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.125 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.31 -24.72 12.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -121.76 13.63 10.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 9.2 mtm -140.7 19.74 2.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.9 ptt? -78.02 -22.83 48.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -97.79 10.02 41.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -126.69 14.6 7.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.888 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.1 pt -113.4 -33.83 2.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -174.7 -50.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 93.7 m -50.73 124.81 11.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.149 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -70.49 -76.12 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -164.93 40.81 0.29 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -112.37 -41.29 3.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.877 0.37 . . . . 0.0 110.846 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 101.72 23.06 9.63 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -145.5 172.61 12.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.844 0.354 . . . . 0.0 110.868 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.3 pt -154.54 125.3 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -58.99 -69.14 0.21 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -164.53 -52.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.838 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -55.56 -46.72 77.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.843 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -62.26 -21.45 65.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -85.81 -35.79 20.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 33.3 mm -78.59 -31.75 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.101 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.5 m -51.36 -57.89 7.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -76.1 -23.55 54.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 36.3 t -88.9 83.14 6.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -103.71 -11.94 17.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 46.51 56.27 6.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.071 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.587 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -90.92 -67.35 0.12 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.651 0.738 . . . . 0.0 110.894 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.587 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.4 Cg_endo -69.81 -36.63 10.31 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.679 2.252 . . . . 0.0 112.323 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 133.02 35.16 0.31 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.476 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.46 -30.95 16.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.794 0.33 . . . . 0.0 110.965 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 12.3 mmt -117.88 -21.07 8.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -77.07 -21.58 54.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -117.39 41.27 2.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -129.83 -32.18 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.11 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.97 3.66 37.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -119.61 -25.0 6.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 98.3 t -61.56 -44.21 98.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.109 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 23.4 p90 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.847 -179.98 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.822 0.344 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -124.11 -31.73 3.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -58.73 -33.9 70.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.2 tpm_? -69.08 -21.56 64.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.3 mt -92.59 -51.5 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.085 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -53.53 -56.69 14.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.12 -32.85 64.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.917 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.26 -44.47 79.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.873 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -79.36 -21.36 45.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -83.48 57.13 3.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.836 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.1 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 -179.906 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -69.67 176.3 3.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.755 0.312 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.7 pt -127.06 147.08 32.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.067 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 t -58.47 112.48 1.6 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.854 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.563 ' C ' ' CD2' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -69.71 -67.64 0.47 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 84.4 p -48.02 -21.51 0.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -92.32 -29.83 16.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.936 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.5 tt -70.69 -54.07 13.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.951 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.41 ' HA ' HD13 ' A' ' 28' ' ' LEU . 7.7 t -53.03 -26.52 15.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.147 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -96.96 -20.76 17.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.29 18.13 10.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 25' ' ' THR . 2.1 mt -98.9 -55.65 2.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 18.0 ptt-85 -53.68 -35.36 60.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.7 t -56.83 -42.58 79.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.086 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.2 mt -69.13 -22.65 63.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 122.53 47.74 0.27 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.518 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.6 m -109.19 169.57 8.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.958 0.409 . . . . 0.0 110.821 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.9 5.73 4.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.127 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 88.9 p -125.08 37.1 4.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.841 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.23 -37.8 28.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.112 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -86.57 -0.7 56.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -85.78 -52.26 5.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.2 p -81.76 -15.76 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.156 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -24.62 9.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.13 16.42 8.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 46.6 mtp -131.63 4.35 4.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 10.8 tpp -77.16 -26.28 52.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.59 9.45 21.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -131.45 18.01 4.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -128.58 -36.53 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.157 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -154.76 -67.73 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.9 m -47.33 119.35 2.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -70.51 -27.51 64.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.798 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 150.46 -16.08 0.98 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.511 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -50.57 -41.7 54.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.842 0.353 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 103.25 23.4 8.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.497 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -149.77 173.05 14.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.856 0.36 . . . . 0.0 110.859 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.9 pt -153.19 133.28 3.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -72.14 -65.73 0.74 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -162.22 -53.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -57.36 -45.71 84.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -62.92 -16.7 60.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -92.16 -35.25 13.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 36.8 mm -74.64 -35.79 38.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.121 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -49.58 -61.13 2.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.805 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -69.1 -13.85 62.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 36.3 t -80.75 56.9 2.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 37.7 m-20 -52.94 -38.95 62.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 48.16 32.5 3.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.566 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -82.16 -66.55 0.22 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.606 0.717 . . . . 0.0 110.902 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.566 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.8 Cg_endo -69.7 -10.03 27.59 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.681 2.254 . . . . 0.0 112.382 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 97.74 38.54 4.13 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.498 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.451 ' HG ' ' HG2' ' A' ' 70' ' ' MET . 0.7 OUTLIER -89.4 -29.21 19.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.819 0.342 . . . . 0.0 110.911 -179.911 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.451 ' HG2' ' HG ' ' A' ' 69' ' ' LEU . 56.6 mmm -111.28 -22.34 11.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 35.8 tttt -80.52 -31.78 37.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -100.93 26.85 6.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.823 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -123.55 -28.21 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.087 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.79 -10.98 59.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -104.19 -23.8 13.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.8 t -51.8 -67.92 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 11.8 t80 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.981 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.782 0.325 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -125.76 -30.47 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -57.11 -32.45 66.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.0 tpp85 -72.28 -24.27 61.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.86 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.2 mt -89.23 -49.57 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -52.31 -58.46 6.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -55.87 -31.62 62.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.58 -31.35 70.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -99.67 0.84 42.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -110.56 38.0 2.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.7 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 -179.875 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -92.2 168.49 11.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 0.0 110.829 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 27.8 pt -127.25 133.15 68.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.96 97.86 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.813 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.07 -44.15 41.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.937 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.3 t -48.63 -30.36 5.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 -90.51 -30.11 17.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.4 tt -71.63 -54.84 9.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.448 ' HA ' HD13 ' A' ' 28' ' ' LEU . 12.8 t -52.99 -27.78 20.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -93.61 -22.75 18.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.62 20.67 7.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.115 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.448 HD13 ' HA ' ' A' ' 25' ' ' THR . 2.5 mt -101.2 -49.5 4.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.28 -44.72 68.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.82 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.2 t -62.98 -16.22 58.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 26.9 mt -109.0 25.69 11.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 59.62 74.89 0.31 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.466 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.2 m -116.56 175.2 5.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.96 0.409 . . . . 0.0 110.848 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.6 p -49.44 -67.98 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.168 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.9 m -147.1 -43.53 0.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 73.36 -0.71 3.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.056 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -108.45 -5.89 16.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -85.03 -56.49 3.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.6 p -76.9 -16.93 14.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.184 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.9 -28.09 8.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.72 16.14 11.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 8.8 mtt -138.15 17.36 2.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.5 tpt -81.09 -22.31 39.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.59 -4.96 52.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -109.11 12.52 25.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.1 pt -117.93 -18.86 6.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -179.35 -62.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.6 m -49.42 120.12 3.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.101 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -62.38 -33.53 74.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 149.6 -14.77 1.07 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.454 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -49.49 -35.3 19.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.807 0.337 . . . . 0.0 110.829 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.84 22.12 11.37 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.459 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -146.78 170.84 16.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.859 0.362 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.3 pt -154.48 129.7 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -63.61 -73.41 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -156.69 -54.11 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -54.76 -48.51 72.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.11 -25.51 68.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -79.59 -36.19 38.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 35.4 mm -78.73 -23.42 13.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.13 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 83.9 p -51.04 -51.28 54.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -93.1 -23.9 18.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 48.9 t -90.45 63.35 5.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -90.0 -13.28 36.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 45.74 52.32 9.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.098 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.574 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -79.08 -66.66 0.27 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.652 0.739 . . . . 0.0 110.903 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.574 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.3 Cg_endo -69.73 -10.27 28.16 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.725 2.284 . . . . 0.0 112.318 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.89 37.62 3.86 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.533 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.31 -32.46 17.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.79 0.329 . . . . 0.0 110.886 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 8.1 mmt -109.2 -21.3 12.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.62 -28.41 58.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.909 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -104.69 25.22 10.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -124.04 -30.31 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.91 -30.49 58.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.8 -13.65 31.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.9 t -88.05 160.99 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.08 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.875 179.992 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.769 0.318 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -121.52 -28.23 4.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -69.3 -15.41 63.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.9 tpp85 -88.67 -17.24 30.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -105.85 -39.83 5.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -53.53 -64.16 0.91 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp -55.73 -35.49 66.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -56.83 -48.75 77.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -78.99 -23.25 44.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -81.02 57.5 3.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.4 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 -179.915 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 mtmm -135.79 174.99 10.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.773 0.32 . . . . 0.0 110.876 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.9 pt -127.15 138.15 55.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.415 ' CB ' ' HB2' ' A' ' 23' ' ' GLU . 45.9 m -52.7 113.96 1.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.549 ' C ' ' CD2' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -67.51 -66.45 0.56 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.0 t -47.87 -21.13 0.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.415 ' HB2' ' CB ' ' A' ' 20' ' ' SER . 29.0 mm-40 -89.71 -30.73 17.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 21' ' ' LEU . 10.4 tt -70.0 -54.46 13.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 15.4 t -53.06 -25.6 13.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.113 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -97.53 -20.71 17.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.17 17.7 10.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.2 mt -99.32 -55.99 2.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.952 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.6 mtp85 -52.72 -34.41 52.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.6 t -58.45 -42.38 87.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.9 mt -69.08 -22.36 64.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.972 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 115.03 55.84 0.37 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.521 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.4 p -113.99 178.73 4.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.936 0.398 . . . . 0.0 110.85 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.75 9.99 2.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.174 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.1 t -131.78 45.78 2.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.54 -37.52 12.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.102 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.6 -1.45 57.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -85.87 -52.35 5.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.1 p -80.7 -16.55 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.59 -26.74 9.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.33 15.37 10.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 7.5 mmm -130.5 3.42 4.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 26.7 tpp -75.83 -25.77 56.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.44 11.68 18.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.05 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -133.19 17.75 4.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -126.79 -35.96 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.146 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -155.18 -65.13 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.75 117.09 2.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -73.5 -19.69 60.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 142.71 -10.42 2.38 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.464 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -48.27 -34.87 11.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.904 0.383 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 101.28 -3.06 54.48 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.492 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -137.35 175.82 9.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.818 0.342 . . . . 0.0 110.877 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 6.8 pt -147.31 134.08 13.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -72.93 -64.39 0.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -166.02 -52.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -54.55 -43.11 71.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -70.03 -15.86 63.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -91.18 -34.97 14.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 36.8 mm -78.68 -34.34 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 t -50.49 -60.22 3.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -68.13 -13.57 62.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.843 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 23.9 t -81.28 56.16 2.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 55.4 m-20 -54.15 -38.76 65.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 51.11 30.81 5.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.552 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -81.88 -65.85 0.24 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.602 0.715 . . . . 0.0 110.883 -179.915 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.552 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.8 Cg_endo -69.74 -9.79 26.98 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.736 2.29 . . . . 0.0 112.322 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 97.52 33.72 5.8 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.448 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.54 -28.3 26.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.791 0.329 . . . . 0.0 110.861 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 10.8 mmt -110.47 -21.96 11.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -81.55 -31.51 32.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -99.78 30.35 3.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.867 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -129.85 -28.26 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.75 1.37 52.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.058 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.17 -11.8 8.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 72.9 t -64.94 -74.46 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 3.2 t80 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.821 0.343 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.98 -30.53 3.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -53.79 -49.39 68.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.2 tpp180 -52.02 -26.0 9.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.882 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -91.72 -48.37 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -50.76 -41.06 56.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -67.37 -32.16 72.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.933 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.17 -42.88 75.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -78.68 -27.46 45.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -89.66 53.14 2.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.3 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.16 -179.912 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.0 mttm -68.7 -172.73 0.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.743 0.306 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.1 pt -146.01 148.98 16.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.123 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.7 m -65.42 83.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.06 -44.69 71.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 62.0 p -56.49 -11.55 1.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -105.59 -13.23 15.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.5 tt -71.8 -52.16 18.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.403 ' HA ' HD13 ' A' ' 28' ' ' LEU . 11.9 t -55.15 -25.11 30.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -97.95 -20.88 17.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -92.83 15.96 13.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.077 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 25' ' ' THR . 2.0 mt -96.79 -55.33 2.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.7 ttp85 -55.13 -35.32 64.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.83 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.0 t -64.14 -15.58 60.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 24.1 mt -104.75 15.74 27.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.0 52.85 3.32 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.461 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.5 m -118.42 156.47 28.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.917 0.389 . . . . 0.0 110.883 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.73 3.55 10.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.3 t -126.45 53.17 1.67 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.818 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.07 -36.78 12.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.077 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -70.96 -30.62 66.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -55.7 -55.01 37.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.2 p -75.82 -23.18 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.89 -23.97 14.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -121.94 15.74 10.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 13.7 mtt -144.84 19.5 1.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.5 ptt? -76.67 -26.93 55.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -97.69 5.75 48.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.085 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -119.36 -10.57 9.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.937 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.3 pt -79.35 -26.39 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.14 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.0 -45.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 89.6 m -50.54 118.64 3.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -51.95 -75.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -172.56 42.39 0.17 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.512 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -113.42 -38.0 4.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.804 0.335 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.03 23.03 9.45 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.499 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -145.17 173.22 12.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.818 0.342 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.7 pt -152.95 164.51 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.155 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -101.66 -66.69 0.9 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -162.55 -49.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -56.71 -54.34 47.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -62.37 -21.82 65.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -79.35 -36.54 39.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 46.9 mm -79.6 -19.63 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.37 -46.27 80.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -94.94 -20.16 19.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 55.9 m -88.33 50.47 1.98 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -82.7 -11.71 58.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 50.03 62.72 2.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.565 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -83.97 -66.52 0.21 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.61 0.719 . . . . 0.0 110.88 -179.91 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.565 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.6 Cg_endo -69.75 -36.75 10.24 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.691 2.261 . . . . 0.0 112.354 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 132.52 36.38 0.29 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.474 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.412 ' HG ' ' HG2' ' A' ' 70' ' ' MET . 0.6 OUTLIER -86.96 -31.84 20.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.801 0.334 . . . . 0.0 110.918 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.412 ' HG2' ' HG ' ' A' ' 69' ' ' LEU . 48.4 mmm -108.06 -21.66 12.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -77.72 -26.35 49.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -116.3 40.54 2.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -137.58 -31.97 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.6 -20.96 23.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.079 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.16 -9.28 16.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 12.6 t -88.7 160.52 2.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 56.6 t80 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 -179.965 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.761 0.315 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -165.61 145.65 6.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -97.49 -50.51 4.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -119.78 -30.04 4.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -57.38 -31.68 66.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -69.8 -17.69 63.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -103.45 -40.11 6.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.182 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -54.23 -63.22 1.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -55.66 -26.7 45.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -67.62 -48.52 66.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -78.94 -22.78 45.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -81.72 57.18 3.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.7 p -123.36 18.11 9.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 -76.95 -61.47 1.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 156.96 -26.92 0.51 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -83.87 -64.99 1.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.816 0.341 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 153.89 -21.41 0.69 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.482 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 48.1 mttt -91.54 168.44 11.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.83 0.348 . . . . 0.0 110.855 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.4 pt -124.41 133.68 68.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.179 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.67 99.77 0.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.825 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.09 -46.02 44.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 88.6 p -49.63 -30.27 8.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -87.91 -31.71 19.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.4 tt -71.75 -54.32 10.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.412 ' HA ' HD13 ' A' ' 28' ' ' LEU . 10.2 t -54.05 -25.3 20.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -97.91 -18.75 18.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.825 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.52 18.79 13.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.102 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' A' ' 25' ' ' THR . 1.8 mt -98.56 -59.91 1.65 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.1 mtm-85 -55.24 -34.67 64.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.8 t -62.47 -16.53 55.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.162 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.2 mt -95.45 -20.02 19.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 130.97 1.88 4.85 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.543 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 p -59.91 -169.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.929 0.395 . . . . 0.0 110.882 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.58 -50.6 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.158 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 p -87.55 53.69 2.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.64 -34.59 40.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.082 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -71.35 -22.54 61.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -55.39 -30.6 60.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.4 p -112.48 -22.26 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -54.62 -23.84 18.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.67 6.02 11.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 6.8 mtm -137.86 28.02 2.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.2 ptt? -83.52 -12.43 56.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.915 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -107.2 3.19 25.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -118.99 -8.74 10.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.3 pt -81.95 -28.31 9.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 178.93 -47.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 92.1 m -48.7 124.16 7.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.186 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -63.51 -37.39 87.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 155.83 -18.91 0.49 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.526 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -49.55 -45.29 47.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.856 0.36 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.96 22.44 6.59 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.492 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -145.0 170.88 15.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.834 0.349 . . . . 0.0 110.87 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.4 pt -154.57 134.85 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.132 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -71.54 -71.72 0.25 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -157.54 -52.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.71 -45.7 74.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -72.67 -22.82 60.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -77.21 -36.2 55.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 27.7 mm -78.85 -24.07 13.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.2 m -60.16 -24.28 64.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -102.19 -18.76 15.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 89.3 m -84.64 53.85 2.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -52.91 -39.22 62.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 54.76 27.95 9.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.08 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.529 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -78.87 -64.59 0.35 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.606 0.717 . . . . 0.0 110.897 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.529 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.5 Cg_endo -69.76 -10.45 28.58 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.695 2.263 . . . . 0.0 112.359 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 101.62 26.23 7.74 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.469 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.441 ' HG ' ' HG2' ' A' ' 70' ' ' MET . 0.6 OUTLIER -77.93 -25.85 48.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.788 0.328 . . . . 0.0 110.956 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.441 ' HG2' ' HG ' ' A' ' 69' ' ' LEU . 21.2 mmt -117.67 -22.23 8.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -76.15 -18.45 59.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -131.01 41.64 3.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.892 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -131.98 -29.28 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.05 -5.03 55.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.109 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.23 -14.7 10.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.5 t -51.42 -73.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 14.1 t80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.971 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.795 0.331 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -129.09 175.43 8.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -123.07 -34.98 3.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -121.48 -27.23 4.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.2 mp0 -68.94 -30.57 69.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -69.25 -22.09 63.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.1 mt -96.53 -48.74 12.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.164 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -50.87 -57.97 7.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -56.39 -31.82 64.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -31.32 71.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -99.67 1.33 43.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -113.07 58.4 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.828 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.1 p -92.73 34.87 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.138 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -109.44 -35.4 6.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 139.84 50.36 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.7 t0 60.26 68.68 0.75 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.826 0.346 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -134.58 -94.74 0.5 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.475 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -138.7 168.67 19.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.757 0.313 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.9 pt -127.21 135.11 64.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.56 100.01 0.83 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.405 HD22 ' N ' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -49.28 -47.09 47.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.6 t -50.03 -30.36 10.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -84.41 -31.89 24.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.946 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.4 tt -72.32 -54.83 8.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.434 ' HA ' HD13 ' A' ' 28' ' ' LEU . 9.5 t -53.39 -26.69 20.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -95.86 -20.28 18.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.18 21.89 8.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.064 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.434 HD13 ' HA ' ' A' ' 25' ' ' THR . 1.9 mt -101.46 -55.65 2.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.925 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -55.45 -30.82 61.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.7 t -64.15 -41.65 97.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.3 mt -67.38 -22.53 65.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 151.21 -27.09 0.99 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.46 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.31 169.87 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.963 0.411 . . . . 0.0 110.843 -179.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.75 -51.11 0.79 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.122 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.2 t -88.68 50.32 1.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.82 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.55 -20.19 64.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.149 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.401 ' HA ' ' CB ' ' A' ' 40' ' ' GLN . 8.1 t70 -72.05 -8.24 53.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.866 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -52.76 -29.7 28.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.0 p -124.97 -19.18 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.134 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.401 ' CB ' ' HA ' ' A' ' 37' ' ' ASP . 4.5 tm0? -53.69 -24.06 13.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -104.89 -8.98 18.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.4 mtt -138.48 49.38 1.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.43 -23.78 15.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -97.58 -2.09 42.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.08 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -111.41 16.6 20.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -116.86 -22.79 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.119 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 179.71 -53.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.8 m -48.93 114.34 0.97 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.86 -52.39 60.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 168.09 -23.33 0.11 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.486 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -46.05 -35.44 4.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.835 0.35 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 101.41 23.01 9.85 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.405 ' N ' HD22 ' A' ' 21' ' ' LEU . 84.3 m-85 -143.53 171.58 13.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.803 0.335 . . . . 0.0 110.903 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.1 pt -153.66 132.53 3.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.161 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -65.34 -73.86 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -156.74 -52.92 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.855 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -54.74 -49.68 70.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -62.56 -24.71 67.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -81.7 -35.56 29.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 47.1 mm -81.04 -26.68 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.155 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.5 t -51.57 -53.94 32.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -77.91 -11.93 59.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 27.9 t -80.23 57.21 2.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -52.37 -39.84 61.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 48.5 33.63 4.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.073 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.553 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 1.8 m-80 -86.14 -65.46 0.2 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.617 0.722 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.553 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.4 Cg_endo -69.75 -36.16 11.35 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.697 2.265 . . . . 0.0 112.306 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 132.06 29.37 0.56 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.516 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.1 -29.1 38.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.788 0.328 . . . . 0.0 110.929 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 8.1 mmt -116.66 -21.53 9.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 52.4 tttt -79.11 -18.76 52.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -125.75 44.92 2.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -136.59 -30.84 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.28 -1.69 57.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.87 -15.79 8.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 75.1 t -51.54 -73.58 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.152 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 22.8 t80 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 179.975 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.751 0.31 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -54.7 -75.03 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.854 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 69.6 8.72 6.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.01 -20.25 5.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -76.01 -29.55 58.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -69.66 -23.42 63.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.2 mt -92.16 -48.4 13.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -50.78 -52.18 43.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -56.3 -27.29 55.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.64 -46.85 35.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -72.81 -29.37 63.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -81.06 57.79 3.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.7 p -99.44 2.92 45.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.113 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -77.62 -67.03 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 140.03 -29.32 2.44 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.501 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -61.49 -45.1 95.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.88 0.371 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 120.14 21.21 3.49 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.446 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.0 mttp -135.31 148.87 49.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.734 0.302 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.0 pt -118.42 133.27 65.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.18 102.44 1.04 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.4 HD22 ' N ' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -49.1 -44.13 41.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 t -49.11 -29.77 5.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -88.71 -31.43 18.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.2 tt -74.5 -56.5 4.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.447 ' HA ' HD13 ' A' ' 28' ' ' LEU . 6.4 t -52.44 -28.34 19.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.165 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -90.72 -23.74 20.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.87 25.74 3.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.109 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 25' ' ' THR . 3.0 mt -107.23 -48.52 3.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -16.53 60.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.9 t -80.18 -42.29 23.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.1 mt -69.96 -22.84 63.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 127.72 33.97 0.58 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.512 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 72.9 m -83.03 -174.17 5.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.934 0.397 . . . . 0.0 110.869 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.36 -49.04 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.131 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.07 16.7 5.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.84 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.31 -36.82 44.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.134 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.447 ' HA ' ' HB2' ' A' ' 40' ' ' GLN . 11.5 t70 -76.15 -28.01 57.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -54.37 -30.2 51.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.6 p -109.55 -21.76 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.15 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.447 ' HB2' ' HA ' ' A' ' 37' ' ' ASP . 1.2 tm0? -53.5 -24.49 13.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.58 15.87 13.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 8.6 mtm -150.61 30.04 0.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -89.11 -20.59 24.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -95.95 9.89 39.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.91 17.16 6.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.1 pt -115.24 -23.87 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.154 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.68 -45.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.2 m -50.5 112.72 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -119.7 -15.72 8.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -65.72 -114.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.515 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -122.56 -5.87 8.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.841 0.353 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 138.96 41.76 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.457 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.4 ' N ' HD22 ' A' ' 21' ' ' LEU . 51.6 m-85 -141.23 172.18 13.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 110.848 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.6 pt -150.82 124.99 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.171 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -56.79 -72.07 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -162.62 -51.48 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -56.0 -45.48 79.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -62.29 -31.0 71.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -71.6 -35.0 70.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 24.9 mm -79.29 -28.48 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.109 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.6 t -59.75 -55.33 35.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.827 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -69.97 -12.19 61.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 1.7 m -81.36 57.08 3.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -51.05 -40.95 59.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 47.42 47.73 16.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.569 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.9 OUTLIER -88.46 -66.79 0.15 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.598 0.713 . . . . 0.0 110.89 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.569 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.9 Cg_endo -69.73 -38.16 8.24 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.659 2.239 . . . . 0.0 112.347 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 136.05 37.8 0.18 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.511 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.35 -27.51 14.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 0.0 110.9 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 6.4 mmt -125.25 -2.13 7.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 35.8 tttm -98.31 -22.32 16.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -141.88 52.81 1.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -124.21 -27.57 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.85 -1.19 53.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.96 -9.82 9.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 24.7 t -55.04 -63.02 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.785 0.326 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -124.87 -167.03 1.61 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.821 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -50.35 -31.53 14.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -128.79 -32.2 2.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -58.01 -32.05 67.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.879 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -70.75 -24.28 62.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.7 mt -91.06 -49.25 13.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.165 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -52.98 -41.12 64.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.9 mmtt -67.96 -29.3 68.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -72.57 -43.51 63.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.942 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -79.02 -22.02 46.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -95.41 20.87 8.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.5 p -56.26 -35.32 67.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.127 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -51.65 -33.66 34.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.43 -16.31 60.02 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.529 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -52.13 -29.48 22.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.858 0.361 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 112.96 -48.47 0.93 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.477 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.0 mttm -91.04 168.1 11.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.75 0.31 . . . . 0.0 110.937 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.6 pt -127.13 133.43 68.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.1 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.81 95.88 0.54 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.422 HD22 ' N ' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -45.51 -44.42 12.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.902 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.4 t -47.1 -44.05 20.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -77.78 -27.97 50.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.3 tt -70.79 -55.32 8.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.447 ' HA ' HD13 ' A' ' 28' ' ' LEU . 7.1 t -54.04 -25.6 22.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -96.57 -18.67 19.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.825 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -100.31 24.79 8.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 25' ' ' THR . 3.2 mt -102.76 -51.71 3.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.46 -35.28 12.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.1 t -65.41 -41.68 93.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.7 mt -67.86 -21.79 65.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 124.24 -29.2 5.13 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.53 157.94 0.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.935 0.397 . . . . 0.0 110.859 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -115.68 4.36 14.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.145 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.7 p -97.95 46.47 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.87 -55.65 3.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.088 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -76.66 -3.14 36.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -86.53 -21.99 26.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.8 p -116.7 -20.84 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -54.05 -24.73 18.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.37 5.63 13.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.5 mtt -141.24 34.44 1.7 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.9 ptt? -88.09 -19.24 27.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -101.43 5.75 42.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.125 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -127.08 22.72 6.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.1 pt -115.53 -26.25 2.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 179.66 -54.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.6 m -50.18 126.45 14.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -119.8 -16.94 8.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -76.3 -128.5 0.29 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.48 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -84.87 -41.65 15.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.851 0.358 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 156.89 56.53 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.462 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.422 ' N ' HD22 ' A' ' 21' ' ' LEU . 51.0 m-85 -141.63 170.71 15.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.793 0.33 . . . . 0.0 110.903 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.8 pt -154.12 126.6 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -61.15 -70.22 0.19 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -161.55 -48.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -56.16 -51.67 67.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -62.52 -27.88 69.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -72.07 -26.86 62.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 39.2 mm -85.12 -29.38 6.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 39.7 t -51.39 -55.03 20.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.83 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -77.25 -14.13 59.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 18.5 t -83.81 54.78 3.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -53.28 -39.9 64.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 49.68 41.77 22.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.122 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.565 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -85.89 -66.0 0.2 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.647 0.737 . . . . 0.0 110.922 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.565 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.5 Cg_endo -69.84 -36.86 9.82 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.614 2.209 . . . . 0.0 112.359 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 133.11 34.55 0.32 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.446 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.68 -32.74 27.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.852 0.358 . . . . 0.0 110.933 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 5.3 mmt -115.57 -21.7 9.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -82.82 -32.12 27.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -99.9 30.33 3.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.894 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -129.27 -32.57 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.06 -29.74 63.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.8 mmmt -90.92 -14.08 32.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -88.62 165.49 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 14.9 t80 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.816 0.341 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -157.59 165.88 34.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -120.55 -41.17 2.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -118.64 -26.56 6.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -58.25 -50.2 74.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 33.3 ttt85 -57.57 -24.28 55.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.884 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.0 mt -85.4 -51.04 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -51.27 -59.9 3.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -51.9 -30.98 26.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.58 -48.4 60.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.845 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -80.12 0.15 33.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -98.01 49.44 1.01 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.2 p -106.97 18.95 21.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.166 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -77.63 -45.34 25.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 122.2 11.57 5.65 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.524 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -122.73 -44.27 2.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.821 0.343 . . . . 0.0 110.856 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 134.17 -15.96 4.46 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.471 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.1 mtmt -91.2 -178.55 5.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.789 0.328 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 36.0 pt -145.21 134.64 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.04 104.05 1.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.401 HD22 ' N ' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -49.96 -49.26 50.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.92 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.9 t -50.59 -29.98 12.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.801 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -84.12 -31.43 25.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.4 tt -75.32 -55.33 5.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.954 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.424 ' HA ' HD13 ' A' ' 28' ' ' LEU . 9.2 t -53.13 -26.11 15.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -95.43 -22.23 17.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.26 21.27 7.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.079 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' A' ' 25' ' ' THR . 1.8 mt -101.16 -52.14 3.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 44.7 ttt180 -57.05 -22.15 36.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.3 t -79.49 -15.02 58.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.2 mt -94.99 4.78 53.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 105.15 19.92 10.24 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.47 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 m -92.96 161.87 14.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.91 0.386 . . . . 0.0 110.827 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.38 9.19 3.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.103 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.2 m -132.65 36.49 3.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.827 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.97 -37.46 26.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.086 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -68.47 -26.55 65.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.823 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -55.3 -52.43 63.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.439 ' HA ' ' HG2' ' A' ' 42' ' ' MET . 5.9 p -85.72 -13.7 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.67 -15.38 39.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.921 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.43 10.99 14.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.439 ' HG2' ' HA ' ' A' ' 39' ' ' VAL . 0.6 OUTLIER -145.39 15.05 1.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.3 tpt -80.61 -17.21 52.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -100.13 10.37 41.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.124 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -137.53 25.94 2.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.5 pp -121.16 -26.16 2.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.165 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -159.82 -61.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.8 m -49.89 136.97 17.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -78.53 -75.33 0.23 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -162.57 57.9 0.29 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.5 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -132.76 -53.44 0.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.852 0.358 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 116.49 22.24 4.48 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.472 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.401 ' N ' HD22 ' A' ' 21' ' ' LEU . 55.2 m-85 -143.11 172.14 13.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 110.864 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.0 pt -153.91 132.58 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.122 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -67.48 -70.03 0.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -160.18 -53.34 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -54.21 -43.34 70.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.23 -16.5 62.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -89.59 -21.75 22.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 33.1 mm -93.25 -30.8 4.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.168 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.3 t -50.15 -60.49 2.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -72.39 -22.9 61.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 17.2 t -90.01 87.28 6.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -101.01 -12.29 18.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 44.92 42.19 5.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.088 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.57 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -84.66 -66.94 0.2 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.592 0.711 . . . . 0.0 110.902 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.57 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.6 Cg_endo -69.76 -10.11 27.75 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.689 2.26 . . . . 0.0 112.366 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.03 35.35 4.83 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.45 -28.34 19.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.79 0.328 . . . . 0.0 110.97 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 7.1 mmt -116.66 -21.34 9.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.7 tptt -80.32 -29.97 38.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -106.53 34.59 3.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -126.95 -29.22 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.169 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.92 1.37 52.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.109 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -116.87 -22.32 8.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 80.4 t -60.67 -73.94 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.148 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 7.9 t80 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.979 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.746 0.308 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -61.43 158.13 15.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -121.22 -35.32 3.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.42 -31.72 3.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -57.46 -49.78 75.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.91 -27.36 18.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.4 mt -90.53 -37.16 9.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -66.74 -37.34 84.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.3 mtpp -74.24 -22.56 59.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.57 -44.01 25.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -79.21 -22.26 45.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -81.92 57.11 3.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -117.92 16.5 14.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.109 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -77.53 -48.17 17.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 134.51 -23.61 3.6 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.514 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -84.59 -46.0 11.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.875 0.369 . . . . 0.0 110.868 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 132.92 -21.4 4.18 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 41.6 mttt -91.33 166.86 12.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.735 0.302 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 29.9 pt -126.78 135.63 63.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.29 106.1 1.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -44.49 -50.47 9.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.933 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.6 t -49.24 -45.31 44.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.834 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -64.0 -30.94 71.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.9 tt -79.14 -58.37 3.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.443 ' HA ' HD13 ' A' ' 28' ' ' LEU . 11.1 t -54.49 -23.12 14.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -95.74 -18.6 20.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -103.62 28.47 6.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.069 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' ' 25' ' ' THR . 1.5 mt -105.93 -54.09 2.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.949 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.7 ttt-85 -56.71 -25.22 53.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.1 t -80.01 -15.82 56.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.121 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.3 mt -102.74 17.62 23.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.47 50.95 4.53 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.7 m -117.0 144.09 44.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.012 0.434 . . . . 0.0 110.856 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.86 -50.04 4.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.101 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.17 72.93 9.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -103.54 -53.18 2.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.137 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -61.93 -18.63 60.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -54.87 -29.45 55.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.6 p -116.2 -23.22 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.131 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.7 tm0? -54.69 -23.01 15.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -117.62 10.14 13.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 11.0 mtt -147.18 31.55 0.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 11.4 ptt? -80.06 -26.18 39.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -91.78 15.15 13.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -138.82 26.46 2.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -118.63 -34.27 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -169.78 -64.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.9 t -48.18 164.31 0.05 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -152.13 -38.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -65.05 -146.07 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.447 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -49.15 -37.04 20.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.811 0.339 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 130.95 63.98 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.476 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -139.64 173.44 11.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.775 0.322 . . . . 0.0 110.888 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 6.6 pt -152.05 132.8 4.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.118 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -72.21 -59.28 2.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -169.04 -52.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -52.12 -45.27 64.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -73.72 -23.51 59.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -75.21 -35.31 61.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 27.2 mm -79.66 -30.45 13.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.1 t -52.22 -58.51 6.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.836 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -73.13 -14.67 61.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 30.4 t -79.93 57.82 2.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -52.85 -40.21 63.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 47.2 36.07 4.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.543 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 1.1 m-80 -84.88 -65.04 0.22 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.653 0.74 . . . . 0.0 110.926 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.543 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.6 Cg_endo -69.73 -37.21 9.55 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.638 2.225 . . . . 0.0 112.359 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 134.11 36.58 0.24 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.37 -32.73 22.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.751 0.31 . . . . 0.0 110.874 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.45 -20.82 7.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -82.96 -31.78 27.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -105.36 34.94 3.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -132.48 -31.25 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.165 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.48 -20.32 30.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.089 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.28 -9.84 17.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 8.9 t -89.12 161.67 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.142 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 32.0 p90 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.974 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.8 0.333 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -133.34 -175.63 3.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.856 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -52.14 -33.21 39.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -122.78 -27.51 4.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -68.74 -26.54 65.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -74.01 -22.1 59.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.9 mt -94.24 -52.25 9.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.161 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -52.0 -40.79 61.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -68.84 -30.7 69.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.937 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.3 -43.98 66.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -79.2 -22.08 45.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -78.78 57.55 2.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.8 p -132.22 7.67 4.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -110.69 -65.31 1.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -76.76 -2.21 75.4 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.8 t0 63.99 22.58 13.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.801 0.334 . . . . 0.0 110.86 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -173.22 -60.95 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.478 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.6 mttm -92.28 -173.82 3.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.811 0.339 . . . . 0.0 110.848 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 46.2 pt -145.71 137.52 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.28 100.46 0.63 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -44.54 -54.79 5.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.3 p -49.9 -44.63 50.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -63.87 -31.18 72.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.9 tt -78.7 -58.74 3.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.413 ' HA ' HD13 ' A' ' 28' ' ' LEU . 9.4 t -54.33 -22.84 13.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -96.68 -19.66 18.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -100.07 24.34 8.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 25' ' ' THR . 1.9 mt -103.68 -57.74 1.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.32 -21.9 38.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.4 t -79.57 -15.12 58.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 33.7 mt -102.17 11.75 37.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.44 56.5 2.51 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.45 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.7 m -115.91 -169.62 1.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.943 0.402 . . . . 0.0 110.854 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.17 -50.2 0.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 m -87.53 72.14 9.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -114.65 -52.66 2.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -70.98 -26.02 62.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -56.55 -29.9 62.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.4 ' HA ' ' CG ' ' A' ' 42' ' ' MET . 4.8 p -112.87 -14.15 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.069 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -61.73 -15.43 40.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.2 ptp85 -120.65 11.3 11.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.4 ' CG ' ' HA ' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -147.9 21.14 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.1 ptt? -75.2 -22.86 57.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.41 16.47 11.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -138.55 22.51 2.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -116.59 -25.94 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -173.88 -49.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.4 m -54.89 103.32 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.102 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -55.44 -35.91 65.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 151.21 44.48 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.465 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -111.93 -10.53 13.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.807 0.337 . . . . 0.0 110.848 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 75.33 0.53 62.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.471 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -135.14 173.71 11.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 6.4 pt -151.38 133.51 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.164 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -67.5 -67.97 0.42 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -162.88 -52.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -51.78 -49.08 63.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.54 -28.98 70.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -76.21 -31.07 58.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 35.3 mm -85.23 -25.12 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 60.4 m -55.74 -53.46 56.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.814 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -79.36 -18.04 53.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 9.7 t -93.94 91.3 6.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -105.84 -12.05 16.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 42.34 50.88 4.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.074 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.576 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -87.7 -67.09 0.16 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.642 0.735 . . . . 0.0 110.936 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.576 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 54.2 Cg_endo -69.83 -36.67 10.2 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.686 2.258 . . . . 0.0 112.338 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 132.19 34.0 0.39 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.504 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.407 ' HG ' ' HG2' ' A' ' 70' ' ' MET . 0.5 OUTLIER -85.87 -33.08 21.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.806 0.336 . . . . 0.0 110.908 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.407 ' HG2' ' HG ' ' A' ' 69' ' ' LEU . 48.1 mmm -115.84 -21.32 9.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.0 tttt -72.82 -21.89 60.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -129.48 44.85 2.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.822 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -132.81 -29.33 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.02 -4.08 55.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.104 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.72 -13.33 9.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.5 t -50.58 -71.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 48.2 p90 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.982 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.781 0.324 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -113.4 174.28 5.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -120.81 -35.29 3.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -125.16 -30.66 3.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.5 mp0 -57.46 -24.6 56.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -78.94 -18.72 53.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -101.29 -39.86 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.107 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -54.04 -59.81 4.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -56.04 -28.66 58.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -67.14 -47.17 71.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -78.94 -22.37 45.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -94.85 23.84 5.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.816 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -55.74 -37.05 67.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.12 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 -53.45 -55.55 24.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 111.18 10.78 19.73 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.526 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -67.87 -27.95 67.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.876 0.37 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 113.39 -13.04 23.45 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.475 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.3 mttm -135.97 171.35 14.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.765 0.317 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.7 pt -127.9 134.49 65.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.162 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.61 97.97 0.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.815 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.455 HD22 ' HA ' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -48.14 -44.54 32.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.5 t -48.45 -30.97 5.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -88.36 -31.13 19.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.4 tt -72.01 -53.77 11.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.922 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.434 ' HA ' HD13 ' A' ' 28' ' ' LEU . 5.4 t -53.24 -28.03 25.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.138 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -94.66 -20.41 19.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.855 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.96 22.89 6.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.434 HD13 ' HA ' ' A' ' 25' ' ' THR . 2.1 mt -102.89 -55.21 2.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -54.64 -37.17 65.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.1 t -65.31 -15.2 62.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 36.2 mt -100.46 13.34 34.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.916 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.67 -33.51 5.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.472 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.8 m -48.82 164.35 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.001 0.429 . . . . 0.0 110.876 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.42 -50.48 1.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.174 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 89.3 p -86.92 63.99 8.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.829 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.72 -33.56 46.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.067 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -61.62 -16.71 50.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -51.91 -29.81 21.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.7 p -118.85 -21.56 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.4 tm0? -54.35 -23.56 15.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -120.59 5.04 10.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -134.04 24.2 3.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 9.8 ptt? -78.81 -20.55 49.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.58 2.29 44.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -121.2 15.27 11.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.2 pt -110.83 -33.0 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -179.65 -45.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.0 m -51.51 115.85 1.81 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.155 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -117.58 -17.95 9.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.861 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -66.72 -117.17 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -112.17 -20.14 12.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.883 0.373 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 145.24 55.27 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.45 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.455 ' HA ' HD22 ' A' ' 21' ' ' LEU . 87.6 m-85 -146.13 169.52 18.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.787 0.327 . . . . 0.0 110.902 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 6.7 pt -154.54 127.17 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.124 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -69.28 -67.2 0.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -161.07 -53.65 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -51.9 -45.16 64.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -72.27 -29.42 63.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -71.85 -29.7 64.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.876 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 30.1 mm -85.14 -21.91 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.152 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.4 p -58.94 -45.87 89.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -88.53 -20.92 24.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 17.8 m -86.91 49.58 1.84 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -61.32 -39.43 90.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 58.59 46.23 14.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.109 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.551 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -79.46 -65.75 0.29 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.618 0.723 . . . . 0.0 110.874 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.551 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.7 Cg_endo -69.79 -37.41 9.14 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.672 2.248 . . . . 0.0 112.308 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 136.01 38.74 0.17 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.449 ' HG ' ' HG2' ' A' ' 70' ' ' MET . 0.4 OUTLIER -87.84 -30.92 19.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.821 0.343 . . . . 0.0 110.918 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.449 ' HG2' ' HG ' ' A' ' 69' ' ' LEU . 17.7 mmm -113.37 -21.7 10.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.0 tttt -82.9 -32.28 27.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -97.98 22.97 8.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -126.53 -31.27 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.181 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.05 -30.31 61.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.7 mmmt -90.33 -15.49 31.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.8 t -88.37 165.5 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.144 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.778 0.323 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -52.66 160.51 0.88 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.827 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -135.69 -42.91 0.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.51 -29.03 4.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -69.45 -22.89 63.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 21.4 tpp180 -78.2 -25.05 46.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -97.91 -40.1 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.097 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -54.68 -59.25 4.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -55.82 -29.45 59.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.05 -45.57 77.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -79.17 -22.85 44.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -81.65 57.07 3.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.4 p -115.39 14.91 16.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 56.2 m-20 -77.69 -39.04 46.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 114.3 11.61 11.8 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -115.59 -33.93 5.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.84 0.352 . . . . 0.0 110.838 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 120.59 -22.35 8.27 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.464 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -92.01 -174.51 3.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.807 0.337 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.1 pt -145.64 133.03 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.61 101.37 1.01 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.835 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.407 HD22 ' N ' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -49.15 -46.36 45.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.932 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.2 t -49.13 -30.3 6.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -88.51 -31.68 18.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.4 tt -71.83 -55.04 8.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.435 ' HA ' HD13 ' A' ' 28' ' ' LEU . 10.0 t -52.92 -25.82 13.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.139 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -96.99 -21.48 17.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.855 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.07 19.05 9.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.435 HD13 ' HA ' ' A' ' 25' ' ' THR . 1.9 mt -98.47 -55.19 2.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.21 -34.85 24.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.0 t -61.95 -41.54 98.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 17.2 mt -67.2 -27.51 67.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 118.84 51.29 0.3 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.476 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -120.87 -178.09 3.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.986 0.422 . . . . 0.0 110.851 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -125.29 3.36 7.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.137 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 99.5 p -116.45 70.6 0.77 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.96 -15.55 8.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.432 ' HA ' ' HB2' ' A' ' 40' ' ' GLN . 0.7 OUTLIER -115.06 -32.87 5.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -57.84 -50.53 73.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.2 p -83.28 -19.67 9.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.084 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.432 ' HB2' ' HA ' ' A' ' 37' ' ' ASP . 0.0 OUTLIER -53.12 -24.47 10.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.88 14.54 12.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.819 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 12.6 mtt -143.03 21.09 1.94 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.4 ttt -84.44 -18.18 36.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -98.46 3.41 48.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.099 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -114.98 -6.16 12.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.1 pt -92.88 -32.77 5.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.106 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -167.06 -55.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 91.5 m -48.09 111.62 0.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -62.93 -77.22 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -161.94 42.53 0.38 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.501 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -112.27 -42.15 3.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.869 0.366 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.83 22.01 11.51 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.51 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.407 ' N ' HD22 ' A' ' 21' ' ' LEU . 92.4 m-85 -147.83 171.92 14.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.831 0.348 . . . . 0.0 110.885 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 6.1 pt -153.75 132.57 3.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.11 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -67.72 -68.63 0.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -163.38 -53.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -51.03 -44.93 61.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -72.5 -25.43 61.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -75.96 -36.09 59.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 23.6 mm -76.94 -28.22 16.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.88 -53.38 41.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -85.01 -24.3 28.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 11.2 t -87.52 47.04 1.44 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -61.03 -40.41 93.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 57.0 38.41 29.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.103 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.542 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -77.82 -64.78 0.39 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.615 0.722 . . . . 0.0 110.902 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.542 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.2 Cg_endo -69.77 -8.35 23.38 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.67 2.247 . . . . 0.0 112.307 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.28 51.14 1.36 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.449 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -103.7 -30.58 10.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.82 0.343 . . . . 0.0 110.884 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 8.3 mmt -116.75 -21.25 9.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.4 tttm -77.07 -28.96 54.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -102.9 32.83 3.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -133.44 -33.35 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.68 -31.18 67.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.095 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.63 -15.1 33.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.6 t -89.98 170.58 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.801 0.334 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -104.78 158.37 16.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -119.41 -46.81 2.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -118.02 -24.86 6.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -68.88 -32.3 71.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -69.33 -22.17 63.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.7 mt -95.35 -49.15 12.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -52.29 -38.97 59.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -72.12 -28.57 63.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.24 -43.2 64.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -79.1 -23.63 43.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -81.63 57.23 3.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -87.64 -35.16 18.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.168 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -50.86 -37.13 41.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 92.58 -21.48 38.37 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -51.82 -30.25 22.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.842 0.353 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 124.76 -36.88 2.74 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.447 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.9 mttm -91.9 -171.68 2.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.762 0.315 . . . . 0.0 110.924 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 37.2 pt -146.79 147.04 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.126 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.432 ' CB ' ' HB2' ' A' ' 23' ' ' GLU . 67.8 m -58.5 112.46 1.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.534 ' C ' ' CD2' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -71.72 -65.85 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.932 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.4 m -48.94 -19.8 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.432 ' HB2' ' CB ' ' A' ' 20' ' ' SER . 41.4 mm-40 -91.19 -28.8 17.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.5 tt -70.17 -54.83 11.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.9 t -53.33 -25.24 14.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -97.35 -21.14 17.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.07 17.76 10.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.3 mt -99.45 -50.48 4.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -56.69 -22.79 37.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.4 t -79.29 -15.34 58.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 27.8 mt -102.73 12.18 36.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.37 57.87 4.12 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.511 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -121.48 -178.43 3.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.99 0.424 . . . . 0.0 110.832 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.68 12.1 3.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.138 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.5 t -119.28 35.59 4.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.88 -54.8 3.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.138 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.59 -3.75 39.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -85.85 -52.65 5.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.8 p -77.43 -20.21 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.44 -25.31 9.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.0 ptp85 -123.45 -2.89 8.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 11.5 mtt -114.55 11.57 17.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 9.9 ptt? -75.56 -24.73 56.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -97.36 14.59 25.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -136.93 17.45 3.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.1 pt -114.79 -32.89 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 179.57 -45.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.11 115.43 1.71 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.142 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -57.42 -75.28 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -173.91 44.43 0.15 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -112.74 -37.9 4.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.836 0.351 . . . . 0.0 110.837 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.65 23.37 8.85 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.477 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -147.35 173.32 12.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.823 0.344 . . . . 0.0 110.884 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 6.9 pt -153.09 129.1 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -68.09 -65.19 0.73 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -165.14 -53.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -52.4 -50.33 62.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.836 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -63.08 -29.4 70.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -72.97 -36.62 67.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 27.9 mm -77.42 -23.34 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.113 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.1 t -60.56 -46.42 90.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -78.47 -16.38 57.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 61.0 m -84.83 53.15 2.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -60.57 -39.18 87.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 60.26 38.46 19.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.55 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -84.09 -65.4 0.22 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.584 0.707 . . . . 0.0 110.892 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.55 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 54.2 Cg_endo -69.71 -37.13 9.72 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.706 2.271 . . . . 0.0 112.375 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 134.08 34.76 0.28 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.508 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.405 ' HG ' ' HG2' ' A' ' 70' ' ' MET . 0.7 OUTLIER -87.21 -23.31 24.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.828 0.346 . . . . 0.0 110.953 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.405 ' HG2' ' HG ' ' A' ' 69' ' ' LEU . 28.8 mmm -116.58 -21.87 8.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.6 tttm -83.39 -17.99 40.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.935 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -130.01 46.56 2.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -137.21 -30.42 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.116 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.23 -4.55 58.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.092 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.54 -13.0 9.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 79.7 t -51.28 -73.58 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 7.9 t80 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.976 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.799 0.333 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -74.23 169.75 16.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.861 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -117.39 -35.15 4.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -128.38 -32.24 2.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 22.8 mp0 -58.96 -29.94 67.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.9 ttp85 -70.78 -19.35 62.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.91 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -101.94 -41.02 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -54.93 -61.82 2.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -53.08 -29.52 30.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -50.92 60.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -80.9 0.26 36.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -91.69 49.55 1.59 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.2 p -99.78 9.47 42.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.189 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -77.65 -74.48 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 156.11 -31.76 0.6 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.482 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -86.32 11.01 13.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.795 0.331 . . . . 0.0 110.827 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 75.42 0.77 63.19 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.563 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.4 mtpt -92.09 177.22 6.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.797 0.332 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.8 pt -145.69 134.5 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.95 97.05 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -48.62 -44.78 37.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 83.6 p -48.37 -30.23 4.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -87.53 -32.38 19.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.4 tt -72.86 -55.73 6.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.406 ' HA ' HD13 ' A' ' 28' ' ' LEU . 10.2 t -53.08 -25.61 13.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -96.12 -21.42 17.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.825 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.7 21.24 7.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 25' ' ' THR . 2.1 mt -102.11 -53.14 2.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.7 ttt180 -56.79 -22.8 38.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.6 t -79.57 -15.24 58.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.5 mt -100.48 10.08 41.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.961 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.01 51.8 2.19 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.455 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 m -123.57 161.05 25.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.947 0.403 . . . . 0.0 110.818 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.56 3.77 5.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.132 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 63.5 p -127.83 50.72 2.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -103.08 -37.0 7.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.101 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -69.9 -23.14 63.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.837 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -56.19 -54.59 43.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.44 ' HA ' ' HG2' ' A' ' 42' ' ' MET . 6.1 p -84.56 -12.21 11.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.115 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.38 -12.54 31.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.944 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.57 5.4 7.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.44 ' HG2' ' HA ' ' A' ' 39' ' ' VAL . 3.3 ptm -132.19 3.14 3.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 16.2 ptt? -61.82 -16.87 53.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.831 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -102.15 21.12 15.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.072 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -150.39 31.7 0.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -121.35 -77.74 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -139.17 -25.71 0.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 45.5 m -43.43 121.75 2.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.168 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -123.79 -9.98 7.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -87.89 27.78 6.42 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 53.64 37.65 26.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.347 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 122.51 23.32 2.36 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -147.83 170.57 17.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.794 0.33 . . . . 0.0 110.875 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.0 pt -155.37 119.76 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.131 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -57.19 -70.96 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -162.69 -52.52 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -56.03 -26.25 48.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -88.4 -30.09 19.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -73.74 -25.54 60.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 31.8 mm -88.27 -30.35 5.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.16 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.67 -55.68 18.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -78.43 -19.15 53.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 35.4 t -95.33 82.75 3.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 48.4 m-20 -100.33 -12.9 19.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 45.02 45.0 8.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.116 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.554 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -80.98 -66.29 0.24 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.595 0.712 . . . . 0.0 110.889 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.554 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.9 Cg_endo -69.77 -10.1 27.72 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.702 2.268 . . . . 0.0 112.327 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.05 37.97 3.96 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.513 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.401 ' HG ' ' HG2' ' A' ' 70' ' ' MET . 0.6 OUTLIER -95.47 -28.28 14.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.832 0.349 . . . . 0.0 110.915 -179.9 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.401 ' HG2' ' HG ' ' A' ' 69' ' ' LEU . 11.2 mmt -113.14 -21.19 11.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.4 tttm -82.83 -31.25 28.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -103.5 30.42 5.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -125.05 -28.48 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.186 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.39 -2.87 57.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.6 mmtm -112.12 -22.81 10.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 88.5 t -63.83 -41.26 91.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 13.7 t80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.78 0.324 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -107.95 71.68 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -55.63 -43.69 76.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -117.52 -31.04 5.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -59.1 -19.76 47.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 19.4 ttt85 -86.92 -6.73 58.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -115.99 -39.35 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -51.93 -56.55 13.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -64.73 -19.54 65.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.53 -32.0 63.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.841 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -100.75 -24.03 14.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -92.02 14.25 16.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -56.11 -35.61 67.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 -51.07 -31.24 18.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 94.58 -14.45 65.3 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.511 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -52.12 -29.61 22.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.363 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.97 -56.48 0.52 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.456 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.3 mttp -92.15 169.61 10.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.767 0.317 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.0 pt -127.27 133.76 67.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.137 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.16 98.26 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.433 HD22 ' N ' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -47.93 -43.32 28.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.6 p -47.43 -29.87 2.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -90.09 -32.2 16.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.4 tt -72.11 -55.38 7.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.411 ' HA ' HD13 ' A' ' 28' ' ' LEU . 9.2 t -53.28 -25.42 14.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -97.3 -20.71 17.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.12 17.7 12.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' A' ' 25' ' ' THR . 1.9 mt -98.17 -57.21 2.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.03 -34.67 63.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.4 t -64.32 -15.22 59.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 28.0 mt -102.99 3.2 35.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.62 15.09 30.35 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 74.1 m -64.87 -174.18 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.939 0.4 . . . . 0.0 110.846 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.23 -51.27 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.8 m -89.58 51.97 2.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.97 -37.23 12.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.061 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -83.71 -1.7 54.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -85.46 -52.43 5.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.9 p -82.46 -15.19 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -49.74 -27.87 5.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -117.77 -8.71 10.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.1 mtt -110.84 18.7 19.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 24.4 tpp -82.34 -24.52 34.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.836 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.42 1.86 57.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.112 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -116.44 15.5 15.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.1 pt -115.61 -27.95 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 179.15 -50.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.6 m -49.66 113.13 0.77 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.166 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -119.61 -16.14 8.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -70.53 -139.69 0.17 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.474 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -85.54 -5.7 59.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.905 0.383 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 123.72 55.56 0.19 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.433 ' N ' HD22 ' A' ' 21' ' ' LEU . 72.4 m-85 -143.5 169.78 17.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.365 . . . . 0.0 110.842 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.5 pt -155.34 127.57 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.134 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -69.53 -66.2 0.62 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -161.86 -52.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -54.74 -45.31 74.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -72.55 -24.35 61.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -79.23 -24.11 43.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 39.7 mm -91.91 -25.21 5.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.9 m -61.62 -28.3 69.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -90.94 -23.54 20.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 7.3 m -79.32 57.77 2.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 35.5 m-20 -51.92 -38.39 56.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 64.67 30.09 12.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.566 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -94.85 -66.46 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.615 0.721 . . . . 0.0 110.907 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.566 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 54.0 Cg_endo -69.68 -6.57 18.89 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.659 2.24 . . . . 0.0 112.384 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 86.99 25.07 35.46 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.493 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.3 pp -67.39 -37.0 82.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.784 0.326 . . . . 0.0 110.939 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.3 ppp? -114.54 -21.11 10.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.6 tttp -69.87 -24.79 63.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.912 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.03 35.69 4.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -127.09 -29.49 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.187 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.99 2.38 43.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.072 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.05 -10.79 8.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.6 t -66.52 -68.48 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.163 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 6.6 t80 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.819 -179.959 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.782 0.325 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.56 173.53 7.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -141.71 -44.75 0.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -120.45 -29.98 4.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -57.86 -35.96 71.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 -69.12 -22.17 63.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.8 mt -92.18 -48.92 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.109 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -51.81 -57.2 10.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -56.07 -26.77 50.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -45.92 55.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.873 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -78.8 -21.38 47.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -80.23 57.24 2.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.9 p -98.47 32.42 2.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.104 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -109.11 -74.87 0.64 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -170.75 52.23 0.19 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.489 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.7 t0 51.79 36.7 18.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.84 0.353 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -112.84 -83.44 1.25 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.5 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.4 mttp -136.26 176.78 8.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.78 0.324 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.7 pt -126.93 147.09 31.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.181 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.9 p -57.51 112.61 1.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.549 ' C ' ' CD2' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -69.68 -68.13 0.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.8 p -48.61 -20.87 0.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -90.76 -30.26 17.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.5 tt -70.2 -54.59 12.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.403 ' HA ' HD13 ' A' ' 28' ' ' LEU . 10.1 t -53.16 -25.72 14.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -97.45 -20.53 17.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.63 18.48 9.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.126 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 25' ' ' THR . 2.3 mt -99.87 -58.54 1.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.961 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.0 ttt85 -51.51 -33.5 32.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.2 t -61.26 -42.13 98.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.3 mt -72.79 -0.75 14.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 102.77 12.8 31.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.451 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.1 m -60.3 -172.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.941 0.401 . . . . 0.0 110.878 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.09 -50.64 0.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.108 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.4 p -87.6 54.22 3.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.2 -52.33 8.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.078 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -73.64 -26.0 60.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -55.47 -30.74 61.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.0 p -110.64 -20.26 6.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.179 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -53.13 -24.5 10.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.78 15.8 11.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.6 mtt -141.81 17.43 2.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.98 -24.22 35.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -90.63 8.76 32.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -124.39 5.47 8.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -113.19 -19.69 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -177.47 -57.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.02 121.98 6.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -77.38 -22.95 50.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.849 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 141.99 -10.05 2.55 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -58.38 -17.96 24.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.828 0.347 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.13 27.27 60.35 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.51 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -150.15 172.96 14.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.894 0.378 . . . . 0.0 110.863 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.9 pt -153.95 121.56 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.159 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -64.3 -62.12 1.81 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -168.21 -52.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -58.82 -24.77 62.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -88.02 -16.2 34.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -90.01 -26.96 20.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 33.7 mm -87.01 -22.17 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.108 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 80.2 p -60.44 -46.0 91.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -86.61 -22.18 26.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 10.6 m -84.1 51.99 2.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -60.92 -38.67 86.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 62.46 40.81 10.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.548 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -79.5 -65.29 0.3 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.614 0.721 . . . . 0.0 110.876 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.548 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.9 Cg_endo -69.73 -9.52 26.31 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.671 2.247 . . . . 0.0 112.358 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.24 36.65 5.11 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.478 ' HG ' ' HG2' ' A' ' 70' ' ' MET . 0.6 OUTLIER -88.86 -28.29 20.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.832 0.349 . . . . 0.0 110.937 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.478 ' HG2' ' HG ' ' A' ' 69' ' ' LEU . 27.9 mmm -99.04 -22.52 15.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -85.63 -32.24 22.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -96.26 28.34 3.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.899 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -130.88 -28.82 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.088 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.42 0.69 51.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.06 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.7 -10.35 8.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 51.3 t -58.68 -71.63 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 86.9 t80 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.979 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.825 0.345 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -149.09 148.53 29.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -111.77 -33.67 6.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -126.36 -31.35 2.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -56.8 -49.71 74.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 41.7 ttm-85 -53.48 -26.61 21.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.804 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.4 mt -88.34 -52.69 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -50.62 -58.44 5.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.4 mtpt -56.14 -25.24 45.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.26 -47.7 33.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -76.83 -21.67 54.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -83.16 55.84 3.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.3 p -122.24 47.99 1.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -110.5 -47.37 3.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 122.07 11.43 5.78 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -114.61 -74.44 0.62 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.882 0.372 . . . . 0.0 110.895 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 176.05 -59.9 0.11 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.492 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -71.18 178.94 3.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.726 0.298 . . . . 0.0 110.939 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.2 pt -127.05 146.83 32.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.129 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.471 ' CB ' ' HB2' ' A' ' 23' ' ' GLU . 58.8 m -58.23 113.56 1.99 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.569 ' C ' ' CD2' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -68.24 -66.88 0.51 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.912 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.4 t -46.42 -22.44 0.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.471 ' HB2' ' CB ' ' A' ' 20' ' ' SER . 0.4 OUTLIER -88.86 -33.37 17.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.921 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 21' ' ' LEU . 10.4 tt -71.65 -55.69 7.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.942 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.413 ' HA ' HD13 ' A' ' 28' ' ' LEU . 8.3 t -52.53 -25.95 11.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -97.12 -20.99 17.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.79 18.88 9.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.093 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 25' ' ' THR . 2.1 mt -99.56 -56.46 2.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.4 ptt85 -54.47 -35.8 63.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.1 t -57.72 -42.36 83.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.4 mt -68.82 -22.52 64.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 117.74 46.61 0.47 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.484 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.6 p -109.19 170.3 8.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.942 0.401 . . . . 0.0 110.892 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.57 10.47 5.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 77.1 p -125.69 52.85 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -102.21 -57.12 2.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -71.34 -7.61 48.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -85.89 -25.78 25.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.9 p -111.86 -17.21 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.104 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -50.79 -25.4 4.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.933 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.6 ptt180 -121.06 -9.85 9.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 4.4 mmt -106.37 12.47 29.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.1 tpt -80.55 -27.37 37.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.74 8.67 27.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -126.94 16.69 7.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -123.52 -33.03 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.086 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -167.63 -58.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -48.38 109.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -51.73 -36.97 49.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 146.97 -13.75 1.49 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.518 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -49.79 -35.36 22.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.88 0.371 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 101.99 26.42 7.48 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.466 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -150.03 172.7 14.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.826 0.346 . . . . 0.0 110.883 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 11.3 pt -153.13 129.72 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.158 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -73.55 -62.81 1.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -165.47 -53.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -52.01 -44.44 64.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -71.84 -26.73 62.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -77.56 -23.68 50.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.838 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 39.8 mm -94.05 -32.77 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -50.61 -59.4 4.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -19.14 61.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 28.6 t -95.72 85.01 4.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -99.87 -13.7 19.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 43.2 37.79 1.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.083 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.555 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -79.59 -65.69 0.29 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.597 0.713 . . . . 0.0 110.855 -179.91 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.555 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 54.2 Cg_endo -69.79 -9.49 26.22 Favored 'Trans proline' 0 C--O 1.231 0.132 0 C-N-CA 122.675 2.25 . . . . 0.0 112.368 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.35 34.08 5.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.32 -27.4 18.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.845 0.355 . . . . 0.0 110.965 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 10.9 mmt -115.4 -21.4 9.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.36 -26.9 56.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -110.2 33.87 4.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -127.61 -29.3 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.01 -3.19 57.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.3 mmtm -112.99 -21.74 10.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 77.4 t -57.38 -74.26 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.101 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.0 t80 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.786 0.326 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -119.42 157.79 27.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -118.13 -35.26 3.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -125.29 -28.5 3.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -57.05 -34.47 68.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 72.6 ttt-85 -70.27 -10.75 59.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -106.45 -34.6 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -66.92 -50.83 61.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -64.0 -23.21 67.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -75.56 -45.33 38.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -79.17 -23.59 43.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -81.41 57.28 3.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.2 p -118.02 19.73 13.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.167 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -77.64 -67.53 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 157.52 -27.29 0.48 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -84.89 -67.05 0.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.842 0.353 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 165.52 -39.46 0.28 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.466 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.9 mttm -72.9 171.38 12.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.801 0.334 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.5 pt -127.02 146.19 33.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.093 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 64.7 m -58.26 112.68 1.63 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.529 ' C ' ' CD2' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -68.51 -65.67 0.67 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.5 t -48.29 -20.32 0.38 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.831 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -90.08 -29.99 17.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.3 tt -70.5 -55.88 7.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.954 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.1 t -53.18 -25.11 12.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.148 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -96.97 -21.21 17.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.16 22.92 6.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.136 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.1 mt -103.7 -52.72 2.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.9 mmm-85 -65.43 -17.23 64.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.9 t -80.15 -14.94 58.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.108 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.1 mt -102.84 10.75 38.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 90.78 46.75 3.87 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.543 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.7 m -113.97 168.11 10.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.985 0.421 . . . . 0.0 110.849 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -133.8 7.64 3.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.106 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.3 m -126.11 55.54 1.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -114.37 -37.69 4.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.077 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -74.34 -6.69 49.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -85.85 -29.63 23.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.419 ' HA ' ' HG2' ' A' ' 42' ' ' MET . 4.7 p -105.43 -13.24 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.07 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -61.59 -15.28 37.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -127.7 6.8 6.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.419 ' HG2' ' HA ' ' A' ' 39' ' ' VAL . 0.3 OUTLIER -127.82 -1.52 5.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 11.3 ptt? -60.02 -18.45 46.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -98.37 20.54 12.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.096 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -148.25 26.66 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -121.62 -32.82 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.187 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -176.21 -44.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 97.0 m -51.39 114.48 1.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -56.0 -35.14 66.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 151.26 -18.84 0.93 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.459 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -51.84 -40.55 60.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.866 0.365 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.62 23.29 7.61 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -142.83 177.52 8.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.883 0.373 . . . . 0.0 110.854 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.7 pt -153.44 130.36 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.143 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -70.5 -64.89 0.81 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -163.84 -50.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -58.82 -49.56 77.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -59.25 -29.93 67.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -71.95 -48.32 46.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 31.5 mm -70.57 -20.28 22.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.159 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.4 p -52.6 -46.9 67.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.849 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -101.15 -18.87 15.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 73.1 m -88.62 63.8 7.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -97.03 -8.74 29.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 56.29 50.34 13.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.544 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -82.41 -65.54 0.24 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.615 0.722 . . . . 0.0 110.854 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.544 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.9 Cg_endo -69.73 -36.44 10.87 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.65 2.233 . . . . 0.0 112.325 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 134.19 33.22 0.32 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.528 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.32 -30.46 23.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.802 0.334 . . . . 0.0 110.92 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 17.0 mmt -117.14 -21.15 8.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -74.57 -20.91 59.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -129.93 42.82 3.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -136.52 -30.26 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.129 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.24 -5.57 49.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.112 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.31 -20.92 10.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.9 t -51.29 -73.09 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 26.2 t80 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.97 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.8 0.333 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -149.49 175.31 11.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -121.47 -35.3 3.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -124.79 -29.14 3.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -57.47 -37.61 73.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 56.9 ttt-85 -72.15 -9.5 58.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.5 mt -100.46 -59.2 3.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -50.24 -57.57 7.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.4 mmtp -53.72 -28.29 33.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -74.4 -47.97 30.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -80.59 0.48 33.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -95.4 48.54 1.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.0 p -101.64 10.81 39.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.172 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 -77.68 -73.94 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 139.88 -18.53 2.96 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.44 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -86.4 10.91 13.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.9 0.381 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 72.25 22.46 78.86 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.488 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 66.4 mttt -136.34 173.55 11.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.756 0.312 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.5 pt -127.23 146.19 33.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 72.5 m -60.82 97.81 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.517 ' C ' ' CD2' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -53.86 -68.24 0.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.924 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.2 t -47.38 -22.11 0.39 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -84.98 -31.38 23.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.886 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 21' ' ' LEU . 10.5 tt -70.85 -54.32 11.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.922 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.8 t -53.38 -25.97 17.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -96.71 -20.72 18.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.28 23.88 5.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.161 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 mt -104.82 -50.79 3.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -55.43 -21.62 16.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.5 t -78.22 -41.27 34.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.106 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.1 mt -68.9 -22.61 64.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.63 60.74 1.08 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.471 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.6 -9.21 8.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.932 0.396 . . . . 0.0 110.814 -179.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 54.1 22.65 3.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.089 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.5 m -128.0 59.92 1.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.841 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -110.25 -51.89 2.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.085 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -76.13 -1.74 27.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -85.89 -26.23 25.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.7 p -112.0 -21.98 5.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.125 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.31 -24.72 12.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -121.76 13.63 10.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 9.2 mtm -140.7 19.74 2.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.9 ptt? -78.02 -22.83 48.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -97.79 10.02 41.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -126.69 14.6 7.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.888 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.1 pt -113.4 -33.83 2.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -174.7 -50.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 93.7 m -50.73 124.81 11.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.149 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -70.49 -76.12 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -164.93 40.81 0.29 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -112.37 -41.29 3.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.877 0.37 . . . . 0.0 110.846 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 101.72 23.06 9.63 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -145.5 172.61 12.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.844 0.354 . . . . 0.0 110.868 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.3 pt -154.54 125.3 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -58.99 -69.14 0.21 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -164.53 -52.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.838 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -55.56 -46.72 77.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.843 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -62.26 -21.45 65.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -85.81 -35.79 20.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 33.3 mm -78.59 -31.75 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.101 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.5 m -51.36 -57.89 7.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -76.1 -23.55 54.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 36.3 t -88.9 83.14 6.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -103.71 -11.94 17.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 46.51 56.27 6.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.071 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.587 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -90.92 -67.35 0.12 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.651 0.738 . . . . 0.0 110.894 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.587 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.4 Cg_endo -69.81 -36.63 10.31 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.679 2.252 . . . . 0.0 112.323 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 133.02 35.16 0.31 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.476 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.46 -30.95 16.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.794 0.33 . . . . 0.0 110.965 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 12.3 mmt -117.88 -21.07 8.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -77.07 -21.58 54.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -117.39 41.27 2.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -129.83 -32.18 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.11 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.97 3.66 37.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -119.61 -25.0 6.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 98.3 t -61.56 -44.21 98.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.109 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 23.4 p90 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.847 -179.98 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.121 0 CA-C-O 120.814 0.34 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -102.6 120.42 40.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -97.8 -35.11 10.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -124.11 -31.73 3.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -58.73 -33.9 70.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.2 tpm_? -69.08 -21.56 64.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.3 mt -92.59 -51.5 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.085 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -53.53 -56.69 14.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.12 -32.85 64.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.917 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.26 -44.47 79.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.873 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -79.36 -21.36 45.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -83.48 57.13 3.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.836 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.1 p -114.54 13.3 17.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -77.64 -49.54 14.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.82 11.24 9.4 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.498 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -112.38 -54.5 2.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.816 0.341 . . . . 0.0 110.838 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 156.17 -60.3 0.36 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.44 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -69.67 176.3 3.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.755 0.312 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.7 pt -127.06 147.08 32.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.067 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 t -58.47 112.48 1.6 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.854 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.563 ' C ' ' CD2' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -69.71 -67.64 0.47 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 84.4 p -48.02 -21.51 0.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -92.32 -29.83 16.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.936 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.5 tt -70.69 -54.07 13.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.951 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.41 ' HA ' HD13 ' A' ' 28' ' ' LEU . 7.7 t -53.03 -26.52 15.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.147 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -96.96 -20.76 17.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.29 18.13 10.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 25' ' ' THR . 2.1 mt -98.9 -55.65 2.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 18.0 ptt-85 -53.68 -35.36 60.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.7 t -56.83 -42.58 79.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.086 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.2 mt -69.13 -22.65 63.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 122.53 47.74 0.27 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.518 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.6 m -109.19 169.57 8.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.958 0.409 . . . . 0.0 110.821 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.9 5.73 4.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.127 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 88.9 p -125.08 37.1 4.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.841 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.23 -37.8 28.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.112 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -86.57 -0.7 56.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -85.78 -52.26 5.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.2 p -81.76 -15.76 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.156 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -24.62 9.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.13 16.42 8.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 46.6 mtp -131.63 4.35 4.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 10.8 tpp -77.16 -26.28 52.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.59 9.45 21.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -131.45 18.01 4.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -128.58 -36.53 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.157 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -154.76 -67.73 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.9 m -47.33 119.35 2.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -70.51 -27.51 64.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.798 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 150.46 -16.08 0.98 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.511 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -50.57 -41.7 54.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.842 0.353 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 103.25 23.4 8.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.497 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -149.77 173.05 14.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.856 0.36 . . . . 0.0 110.859 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.9 pt -153.19 133.28 3.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -72.14 -65.73 0.74 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -162.22 -53.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -57.36 -45.71 84.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -62.92 -16.7 60.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -92.16 -35.25 13.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 36.8 mm -74.64 -35.79 38.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.121 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -49.58 -61.13 2.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.805 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -69.1 -13.85 62.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 36.3 t -80.75 56.9 2.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 37.7 m-20 -52.94 -38.95 62.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 48.16 32.5 3.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.566 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -82.16 -66.55 0.22 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.606 0.717 . . . . 0.0 110.902 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.566 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.8 Cg_endo -69.7 -10.03 27.59 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.681 2.254 . . . . 0.0 112.382 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 97.74 38.54 4.13 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.498 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.451 ' HG ' ' HG2' ' A' ' 70' ' ' MET . 0.7 OUTLIER -89.4 -29.21 19.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.819 0.342 . . . . 0.0 110.911 -179.911 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.451 ' HG2' ' HG ' ' A' ' 69' ' ' LEU . 56.6 mmm -111.28 -22.34 11.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 35.8 tttt -80.52 -31.78 37.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -100.93 26.85 6.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.823 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -123.55 -28.21 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.087 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.79 -10.98 59.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -104.19 -23.8 13.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.8 t -51.8 -67.92 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 11.8 t80 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.981 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.818 0.342 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -121.79 162.42 20.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -124.91 -35.35 2.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -125.76 -30.47 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -57.11 -32.45 66.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.0 tpp85 -72.28 -24.27 61.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.86 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.2 mt -89.23 -49.57 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -52.31 -58.46 6.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -55.87 -31.62 62.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.58 -31.35 70.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -99.67 0.84 42.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -110.56 38.0 2.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.7 p -73.51 -34.69 65.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -50.6 -30.72 13.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 94.72 -16.32 61.48 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.515 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -56.08 -24.88 42.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.853 0.358 . . . . 0.0 110.842 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 106.81 -39.22 2.96 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.461 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -92.2 168.49 11.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 0.0 110.829 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 27.8 pt -127.25 133.15 68.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.96 97.86 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.813 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.07 -44.15 41.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.937 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.3 t -48.63 -30.36 5.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 -90.51 -30.11 17.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.4 tt -71.63 -54.84 9.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.448 ' HA ' HD13 ' A' ' 28' ' ' LEU . 12.8 t -52.99 -27.78 20.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -93.61 -22.75 18.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.62 20.67 7.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.115 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.448 HD13 ' HA ' ' A' ' 25' ' ' THR . 2.5 mt -101.2 -49.5 4.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.28 -44.72 68.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.82 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.2 t -62.98 -16.22 58.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 26.9 mt -109.0 25.69 11.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 59.62 74.89 0.31 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.466 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.2 m -116.56 175.2 5.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.96 0.409 . . . . 0.0 110.848 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.6 p -49.44 -67.98 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.168 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.9 m -147.1 -43.53 0.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 73.36 -0.71 3.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.056 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -108.45 -5.89 16.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -85.03 -56.49 3.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.6 p -76.9 -16.93 14.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.184 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.9 -28.09 8.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.72 16.14 11.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 8.8 mtt -138.15 17.36 2.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.5 tpt -81.09 -22.31 39.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.59 -4.96 52.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -109.11 12.52 25.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.1 pt -117.93 -18.86 6.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -179.35 -62.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.6 m -49.42 120.12 3.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.101 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -62.38 -33.53 74.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 149.6 -14.77 1.07 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.454 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -49.49 -35.3 19.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.807 0.337 . . . . 0.0 110.829 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.84 22.12 11.37 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.459 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -146.78 170.84 16.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.859 0.362 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.3 pt -154.48 129.7 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -63.61 -73.41 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -156.69 -54.11 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -54.76 -48.51 72.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.11 -25.51 68.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -79.59 -36.19 38.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 35.4 mm -78.73 -23.42 13.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.13 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 83.9 p -51.04 -51.28 54.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -93.1 -23.9 18.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 48.9 t -90.45 63.35 5.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -90.0 -13.28 36.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 45.74 52.32 9.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.098 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.574 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -79.08 -66.66 0.27 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.652 0.739 . . . . 0.0 110.903 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.574 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.3 Cg_endo -69.73 -10.27 28.16 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.725 2.284 . . . . 0.0 112.318 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.89 37.62 3.86 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.533 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.31 -32.46 17.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.79 0.329 . . . . 0.0 110.886 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 8.1 mmt -109.2 -21.3 12.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.62 -28.41 58.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.909 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -104.69 25.22 10.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -124.04 -30.31 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.91 -30.49 58.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.8 -13.65 31.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.9 t -88.05 160.99 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.08 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.875 179.992 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.813 0.339 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -64.94 163.38 14.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -134.22 -44.03 0.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -121.52 -28.23 4.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -69.3 -15.41 63.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.9 tpp85 -88.67 -17.24 30.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -105.85 -39.83 5.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -53.53 -64.16 0.91 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp -55.73 -35.49 66.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -56.83 -48.75 77.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -78.99 -23.25 44.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -81.02 57.5 3.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.4 p -97.65 32.8 2.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -109.14 -69.71 0.85 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -174.61 51.51 0.14 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.542 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.8 t70 51.46 38.98 23.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.83 0.348 . . . . 0.0 110.825 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -112.78 -85.97 1.5 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.464 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 mtmm -135.79 174.99 10.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.773 0.32 . . . . 0.0 110.876 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.9 pt -127.15 138.15 55.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.415 ' CB ' ' HB2' ' A' ' 23' ' ' GLU . 45.9 m -52.7 113.96 1.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.549 ' C ' ' CD2' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -67.51 -66.45 0.56 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.0 t -47.87 -21.13 0.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.415 ' HB2' ' CB ' ' A' ' 20' ' ' SER . 29.0 mm-40 -89.71 -30.73 17.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 21' ' ' LEU . 10.4 tt -70.0 -54.46 13.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 15.4 t -53.06 -25.6 13.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.113 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -97.53 -20.71 17.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.17 17.7 10.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.2 mt -99.32 -55.99 2.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.952 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.6 mtp85 -52.72 -34.41 52.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.6 t -58.45 -42.38 87.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.9 mt -69.08 -22.36 64.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.972 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 115.03 55.84 0.37 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.521 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.4 p -113.99 178.73 4.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.936 0.398 . . . . 0.0 110.85 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.75 9.99 2.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.174 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.1 t -131.78 45.78 2.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.54 -37.52 12.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.102 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.6 -1.45 57.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -85.87 -52.35 5.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.1 p -80.7 -16.55 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.59 -26.74 9.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.33 15.37 10.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 7.5 mmm -130.5 3.42 4.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 26.7 tpp -75.83 -25.77 56.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.44 11.68 18.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.05 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -133.19 17.75 4.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -126.79 -35.96 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.146 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -155.18 -65.13 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.75 117.09 2.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -73.5 -19.69 60.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 142.71 -10.42 2.38 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.464 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -48.27 -34.87 11.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.904 0.383 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 101.28 -3.06 54.48 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.492 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -137.35 175.82 9.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.818 0.342 . . . . 0.0 110.877 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 6.8 pt -147.31 134.08 13.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -72.93 -64.39 0.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -166.02 -52.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -54.55 -43.11 71.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -70.03 -15.86 63.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -91.18 -34.97 14.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 36.8 mm -78.68 -34.34 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 t -50.49 -60.22 3.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -68.13 -13.57 62.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.843 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 23.9 t -81.28 56.16 2.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 55.4 m-20 -54.15 -38.76 65.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 51.11 30.81 5.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.552 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -81.88 -65.85 0.24 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.602 0.715 . . . . 0.0 110.883 -179.915 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.552 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.8 Cg_endo -69.74 -9.79 26.98 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.736 2.29 . . . . 0.0 112.322 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 97.52 33.72 5.8 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.448 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.54 -28.3 26.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.791 0.329 . . . . 0.0 110.861 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 10.8 mmt -110.47 -21.96 11.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -81.55 -31.51 32.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -99.78 30.35 3.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.867 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -129.85 -28.26 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.75 1.37 52.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.058 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.17 -11.8 8.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 72.9 t -64.94 -74.46 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 3.2 t80 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.75 0.31 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -78.95 166.66 22.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -120.45 -35.36 3.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.98 -30.53 3.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -53.79 -49.39 68.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.2 tpp180 -52.02 -26.0 9.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.882 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -91.72 -48.37 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -50.76 -41.06 56.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -67.37 -32.16 72.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.933 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.17 -42.88 75.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -78.68 -27.46 45.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -89.66 53.14 2.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.3 p -113.47 18.16 17.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.16 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -75.76 -48.1 23.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 120.08 11.25 7.01 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.461 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -115.67 -60.97 1.81 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.827 0.346 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 162.46 -53.52 0.31 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.493 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.0 mttm -68.7 -172.73 0.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.743 0.306 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.1 pt -146.01 148.98 16.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.123 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.7 m -65.42 83.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.06 -44.69 71.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 62.0 p -56.49 -11.55 1.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -105.59 -13.23 15.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.5 tt -71.8 -52.16 18.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.403 ' HA ' HD13 ' A' ' 28' ' ' LEU . 11.9 t -55.15 -25.11 30.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -97.95 -20.88 17.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -92.83 15.96 13.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.077 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 25' ' ' THR . 2.0 mt -96.79 -55.33 2.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.7 ttp85 -55.13 -35.32 64.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.83 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.0 t -64.14 -15.58 60.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 24.1 mt -104.75 15.74 27.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.0 52.85 3.32 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.461 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.5 m -118.42 156.47 28.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.917 0.389 . . . . 0.0 110.883 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.73 3.55 10.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.3 t -126.45 53.17 1.67 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.818 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.07 -36.78 12.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.077 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -70.96 -30.62 66.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -55.7 -55.01 37.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.2 p -75.82 -23.18 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.89 -23.97 14.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -121.94 15.74 10.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 13.7 mtt -144.84 19.5 1.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.5 ptt? -76.67 -26.93 55.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -97.69 5.75 48.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.085 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -119.36 -10.57 9.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.937 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.3 pt -79.35 -26.39 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.14 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.0 -45.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 89.6 m -50.54 118.64 3.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -51.95 -75.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -172.56 42.39 0.17 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.512 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -113.42 -38.0 4.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.804 0.335 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.03 23.03 9.45 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.499 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -145.17 173.22 12.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.818 0.342 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.7 pt -152.95 164.51 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.155 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -101.66 -66.69 0.9 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -162.55 -49.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -56.71 -54.34 47.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -62.37 -21.82 65.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -79.35 -36.54 39.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 46.9 mm -79.6 -19.63 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.37 -46.27 80.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -94.94 -20.16 19.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 55.9 m -88.33 50.47 1.98 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -82.7 -11.71 58.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 50.03 62.72 2.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.565 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -83.97 -66.52 0.21 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.61 0.719 . . . . 0.0 110.88 -179.91 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.565 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.6 Cg_endo -69.75 -36.75 10.24 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.691 2.261 . . . . 0.0 112.354 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 132.52 36.38 0.29 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.474 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.412 ' HG ' ' HG2' ' A' ' 70' ' ' MET . 0.6 OUTLIER -86.96 -31.84 20.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.801 0.334 . . . . 0.0 110.918 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.412 ' HG2' ' HG ' ' A' ' 69' ' ' LEU . 48.4 mmm -108.06 -21.66 12.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -77.72 -26.35 49.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -116.3 40.54 2.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -137.58 -31.97 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.6 -20.96 23.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.079 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.16 -9.28 16.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 12.6 t -88.7 160.52 2.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 56.6 t80 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 -179.965 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.511 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 74.2 m-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.807 0.336 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -119.78 -30.04 4.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -57.38 -31.68 66.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.581 ' HB3' ' HB1' ' A' ' 74' ' ' ALA . 20.0 tpp180 -69.8 -17.69 63.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.538 HG22 ' CE2' ' A' ' 11' ' ' PHE . 1.0 OUTLIER -103.45 -40.11 6.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.182 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -54.23 -63.22 1.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -55.66 -26.7 45.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -67.62 -48.52 66.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.538 ' CE2' HG22 ' A' ' 7' ' ' ILE . 42.5 m-85 -78.94 -22.78 45.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.912 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -81.72 57.18 3.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 -179.88 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 48.1 mttt -91.54 168.44 11.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.83 0.348 . . . . 0.0 110.855 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.546 HD12 HD12 ' A' ' 24' ' ' LEU . 26.4 pt -124.41 133.68 68.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.179 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.509 ' HG ' ' HE2' ' A' ' 53' ' ' PHE . 0.7 OUTLIER -67.67 99.77 0.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.825 -179.858 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.446 HD11 HG21 ' A' ' 48' ' ' THR . 0.0 OUTLIER -49.09 -46.02 44.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 88.6 p -49.63 -30.27 8.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -87.91 -31.71 19.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.546 HD12 HD12 ' A' ' 19' ' ' ILE . 10.4 tt -71.75 -54.32 10.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.626 ' HA ' HD12 ' A' ' 28' ' ' LEU . 10.2 t -54.05 -25.3 20.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -97.91 -18.75 18.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.825 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.52 18.79 13.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.102 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.626 HD12 ' HA ' ' A' ' 25' ' ' THR . 1.8 mt -98.56 -59.91 1.65 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.463 ' NH1' ' HB3' ' A' ' 36' ' ' ALA . 4.1 mtm-85 -55.24 -34.67 64.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.8 t -62.47 -16.53 55.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.162 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.2 mt -95.45 -20.02 19.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 130.97 1.88 4.85 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.543 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 p -59.91 -169.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.929 0.395 . . . . 0.0 110.882 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.58 -50.6 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.158 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 p -87.55 53.69 2.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.463 ' HB3' ' NH1' ' A' ' 29' ' ' ARG . . . -79.64 -34.59 40.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.082 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.413 ' HA ' ' HB2' ' A' ' 40' ' ' GLN . 31.2 t70 -71.35 -22.54 61.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -55.39 -30.6 60.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.4 p -112.48 -22.26 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.413 ' HB2' ' HA ' ' A' ' 37' ' ' ASP . 0.5 OUTLIER -54.62 -23.84 18.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.924 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.67 6.02 11.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.53 ' O ' HG23 ' A' ' 46' ' ' ILE . 6.8 mtm -137.86 28.02 2.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.2 ptt? -83.52 -12.43 56.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.915 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -107.2 3.19 25.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -118.99 -8.74 10.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.53 HG23 ' O ' ' A' ' 42' ' ' MET . 1.3 pt -81.95 -28.31 9.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 178.93 -47.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.446 HG21 HD11 ' A' ' 21' ' ' LEU . 92.1 m -48.7 124.16 7.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.186 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -63.51 -37.39 87.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 155.83 -18.91 0.49 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.526 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -49.55 -45.29 47.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.856 0.36 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.96 22.44 6.59 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.492 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.509 ' HE2' ' HG ' ' A' ' 20' ' ' SER . 81.1 m-85 -145.0 170.88 15.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.834 0.349 . . . . 0.0 110.87 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.646 HD12 ' HA ' ' A' ' 59' ' ' PHE . 4.4 pt -154.57 134.85 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.132 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -71.54 -71.72 0.25 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -157.54 -52.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.71 -45.7 74.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -72.67 -22.82 60.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.646 ' HA ' HD12 ' A' ' 54' ' ' ILE . 10.0 t80 -77.21 -36.2 55.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 27.7 mm -78.85 -24.07 13.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.2 m -60.16 -24.28 64.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -102.19 -18.76 15.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 89.3 m -84.64 53.85 2.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -52.91 -39.22 62.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.502 ' HB2' ' HB2' ' A' ' 70' ' ' MET . . . 54.76 27.95 9.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.08 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.529 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -78.87 -64.59 0.35 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.606 0.717 . . . . 0.0 110.897 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.529 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.5 Cg_endo -69.76 -10.45 28.58 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.695 2.263 . . . . 0.0 112.359 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 101.62 26.23 7.74 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.469 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.519 HD23 ' HG2' ' A' ' 67' ' ' PRO . 0.6 OUTLIER -77.93 -25.85 48.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.788 0.328 . . . . 0.0 110.956 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.502 ' HB2' ' HB2' ' A' ' 65' ' ' ALA . 21.2 mmt -117.67 -22.23 8.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -76.15 -18.45 59.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -131.01 41.64 3.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.892 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -131.98 -29.28 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.581 ' HB1' ' HB3' ' A' ' 6' ' ' ARG . . . -80.05 -5.03 55.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.109 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.23 -14.7 10.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.5 t -51.42 -73.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 14.1 t80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.971 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.818 0.342 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -121.48 -27.23 4.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.2 mp0 -68.94 -30.57 69.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.494 ' HB3' ' HB1' ' A' ' 74' ' ' ALA . 12.8 tpt180 -69.25 -22.09 63.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.562 HG22 ' CE2' ' A' ' 11' ' ' PHE . 1.1 mt -96.53 -48.74 12.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.164 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -50.87 -57.97 7.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -56.39 -31.82 64.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -31.32 71.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.562 ' CE2' HG22 ' A' ' 7' ' ' ILE . 33.4 m-85 -99.67 1.33 43.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -113.07 58.4 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.828 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.1 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.138 -179.888 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -138.7 168.67 19.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.757 0.313 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.425 HG12 HG13 ' A' ' 54' ' ' ILE . 23.9 pt -127.21 135.11 64.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.56 100.01 0.83 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.521 HD13 ' HG2' ' A' ' 43' ' ' MET . 0.0 OUTLIER -49.28 -47.09 47.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.6 t -50.03 -30.36 10.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -84.41 -31.89 24.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.946 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.524 ' CD2' HD11 ' A' ' 28' ' ' LEU . 10.4 tt -72.32 -54.83 8.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.654 ' HA ' HD12 ' A' ' 28' ' ' LEU . 9.5 t -53.39 -26.69 20.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -95.86 -20.28 18.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.18 21.89 8.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.064 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.654 HD12 ' HA ' ' A' ' 25' ' ' THR . 1.9 mt -101.46 -55.65 2.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.925 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -55.45 -30.82 61.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.411 HG23 ' N ' ' A' ' 31' ' ' LEU . 7.7 t -64.15 -41.65 97.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.411 ' N ' HG23 ' A' ' 30' ' ' THR . 13.3 mt -67.38 -22.53 65.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.508 ' HA3' HG11 ' A' ' 76' ' ' VAL . . . 151.21 -27.09 0.99 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.46 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.31 169.87 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.963 0.411 . . . . 0.0 110.843 -179.73 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.75 -51.11 0.79 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.122 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.2 t -88.68 50.32 1.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.82 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.55 -20.19 64.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.149 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.413 ' HA ' ' CB ' ' A' ' 40' ' ' GLN . 8.1 t70 -72.05 -8.24 53.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.866 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -52.76 -29.7 28.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.0 p -124.97 -19.18 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.134 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.413 ' CB ' ' HA ' ' A' ' 37' ' ' ASP . 4.5 tm0? -53.69 -24.06 13.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -104.89 -8.98 18.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.4 mtt -138.48 49.38 1.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.521 ' HG2' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -98.43 -23.78 15.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -97.58 -2.09 42.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.08 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -111.41 16.6 20.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -116.86 -22.79 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.119 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 179.71 -53.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.497 HG21 HD11 ' A' ' 21' ' ' LEU . 21.8 m -48.93 114.34 0.97 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.86 -52.39 60.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 168.09 -23.33 0.11 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.486 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -46.05 -35.44 4.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.835 0.35 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 101.41 23.01 9.85 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.457 ' N ' HD21 ' A' ' 21' ' ' LEU . 84.3 m-85 -143.53 171.58 13.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.803 0.335 . . . . 0.0 110.903 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.622 HD12 ' HB2' ' A' ' 59' ' ' PHE . 3.1 pt -153.66 132.53 3.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.161 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -65.34 -73.86 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -156.74 -52.92 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.855 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -54.74 -49.68 70.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -62.56 -24.71 67.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.622 ' HB2' HD12 ' A' ' 54' ' ' ILE . 23.2 t80 -81.7 -35.56 29.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 47.1 mm -81.04 -26.68 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.155 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.5 t -51.57 -53.94 32.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -77.91 -11.93 59.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 27.9 t -80.23 57.21 2.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -52.37 -39.84 61.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 48.5 33.63 4.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.073 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.553 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 1.8 m-80 -86.14 -65.46 0.2 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.617 0.722 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.556 ' HG2' HD23 ' A' ' 69' ' ' LEU . 53.4 Cg_endo -69.75 -36.16 11.35 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.697 2.265 . . . . 0.0 112.306 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 132.06 29.37 0.56 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.516 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.556 HD23 ' HG2' ' A' ' 67' ' ' PRO . 0.5 OUTLIER -80.1 -29.1 38.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.788 0.328 . . . . 0.0 110.929 -179.922 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 8.1 mmt -116.66 -21.53 9.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 52.4 tttt -79.11 -18.76 52.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -125.75 44.92 2.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -136.59 -30.84 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.494 ' HB1' ' HB3' ' A' ' 6' ' ' ARG . . . -85.28 -1.69 57.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.87 -15.79 8.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.508 HG11 ' HA3' ' A' ' 32' ' ' GLY . 75.1 t -51.54 -73.58 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.152 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 22.8 t80 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 179.975 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.404 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.839 0.352 . . . . 0.0 110.889 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.01 -20.25 5.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -76.01 -29.55 58.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.451 ' HB3' ' HB1' ' A' ' 74' ' ' ALA . 21.8 tpp180 -69.66 -23.42 63.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.582 HG22 ' CE2' ' A' ' 11' ' ' PHE . 1.2 mt -92.16 -48.4 13.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -50.78 -52.18 43.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -56.3 -27.29 55.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.64 -46.85 35.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.582 ' CE2' HG22 ' A' ' 7' ' ' ILE . 43.3 m-85 -72.81 -29.37 63.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -81.06 57.79 3.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.113 -179.871 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.0 mttp -135.31 148.87 49.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.734 0.302 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.542 HD12 HD12 ' A' ' 24' ' ' LEU . 24.0 pt -118.42 133.27 65.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.18 102.44 1.04 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.664 ' O ' HG22 ' A' ' 25' ' ' THR . 0.0 OUTLIER -49.1 -44.13 41.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 t -49.11 -29.77 5.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -88.71 -31.43 18.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.55 HD11 ' HE1' ' A' ' 59' ' ' PHE . 10.2 tt -74.5 -56.5 4.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.69 ' HA ' HD12 ' A' ' 28' ' ' LEU . 6.4 t -52.44 -28.34 19.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.165 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -90.72 -23.74 20.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.87 25.74 3.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.109 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.69 HD12 ' HA ' ' A' ' 25' ' ' THR . 3.0 mt -107.23 -48.52 3.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -16.53 60.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.436 HG23 ' N ' ' A' ' 31' ' ' LEU . 9.9 t -80.18 -42.29 23.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.436 ' N ' HG23 ' A' ' 30' ' ' THR . 14.1 mt -69.96 -22.84 63.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 127.72 33.97 0.58 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.512 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 72.9 m -83.03 -174.17 5.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.934 0.397 . . . . 0.0 110.869 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.36 -49.04 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.131 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.07 16.7 5.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.84 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.31 -36.82 44.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.134 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.475 ' HA ' ' HB2' ' A' ' 40' ' ' GLN . 11.5 t70 -76.15 -28.01 57.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -54.37 -30.2 51.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.487 HG11 ' HE2' ' A' ' 62' ' ' PHE . 4.6 p -109.55 -21.76 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.15 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.475 ' HB2' ' HA ' ' A' ' 37' ' ' ASP . 1.2 tm0? -53.5 -24.49 13.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.58 15.87 13.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 8.6 mtm -150.61 30.04 0.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.63 ' HG2' HD13 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -89.11 -20.59 24.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -95.95 9.89 39.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.91 17.16 6.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.557 HD13 ' HB2' ' A' ' 62' ' ' PHE . 1.1 pt -115.24 -23.87 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.154 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.68 -45.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.61 HG21 HD11 ' A' ' 21' ' ' LEU . 30.2 m -50.5 112.72 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -119.7 -15.72 8.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -65.72 -114.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.515 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -122.56 -5.87 8.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.841 0.353 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 138.96 41.76 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.457 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.475 ' N ' HD21 ' A' ' 21' ' ' LEU . 51.6 m-85 -141.23 172.18 13.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 110.848 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.655 HD12 ' HB2' ' A' ' 59' ' ' PHE . 4.6 pt -150.82 124.99 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.171 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -56.79 -72.07 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -162.62 -51.48 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -56.0 -45.48 79.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -62.29 -31.0 71.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.655 ' HB2' HD12 ' A' ' 54' ' ' ILE . 33.6 t80 -71.6 -35.0 70.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 24.9 mm -79.29 -28.48 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.109 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.6 t -59.75 -55.33 35.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.827 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.557 ' HB2' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -69.97 -12.19 61.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.877 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 1.7 m -81.36 57.08 3.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -51.05 -40.95 59.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.641 ' HB1' ' HB2' ' A' ' 71' ' ' LYS . . . 47.42 47.73 16.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.569 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.9 OUTLIER -88.46 -66.79 0.15 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.598 0.713 . . . . 0.0 110.89 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.569 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.9 Cg_endo -69.73 -38.16 8.24 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.659 2.239 . . . . 0.0 112.347 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 136.05 37.8 0.18 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.511 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.592 HD12 ' HE3' ' A' ' 70' ' ' MET . 0.6 OUTLIER -96.35 -27.51 14.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 0.0 110.9 -179.895 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.592 ' HE3' HD12 ' A' ' 69' ' ' LEU . 6.4 mmt -125.25 -2.13 7.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.641 ' HB2' ' HB1' ' A' ' 65' ' ' ALA . 35.8 tttm -98.31 -22.32 16.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.45 ' O ' HG23 ' A' ' 76' ' ' VAL . 0.4 OUTLIER -141.88 52.81 1.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -124.21 -27.57 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.451 ' HB1' ' HB3' ' A' ' 6' ' ' ARG . . . -83.85 -1.19 53.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.96 -9.82 9.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 72' ' ' ASP . 24.7 t -55.04 -63.02 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.783 0.325 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -128.79 -32.2 2.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -58.01 -32.05 67.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.879 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -70.75 -24.28 62.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.477 HG22 ' CE2' ' A' ' 11' ' ' PHE . 1.7 mt -91.06 -49.25 13.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.165 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -52.98 -41.12 64.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.9 mmtt -67.96 -29.3 68.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -72.57 -43.51 63.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.942 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.477 ' CE2' HG22 ' A' ' 7' ' ' ILE . 42.0 m-85 -79.02 -22.02 46.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -95.41 20.87 8.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.5 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.127 -179.871 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.0 mttm -91.04 168.1 11.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.75 0.31 . . . . 0.0 110.937 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.62 HD12 HD12 ' A' ' 24' ' ' LEU . 28.6 pt -127.13 133.43 68.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.1 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.81 95.88 0.54 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.478 HD21 ' N ' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -45.51 -44.42 12.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.902 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.4 t -47.1 -44.05 20.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -77.78 -27.97 50.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.62 HD12 HD12 ' A' ' 19' ' ' ILE . 10.3 tt -70.79 -55.32 8.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.675 ' OG1' HG13 ' A' ' 39' ' ' VAL . 7.1 t -54.04 -25.6 22.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -96.57 -18.67 19.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.825 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -100.31 24.79 8.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.671 HD12 ' HA ' ' A' ' 25' ' ' THR . 3.2 mt -102.76 -51.71 3.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.46 -35.28 12.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.408 HG23 ' N ' ' A' ' 31' ' ' LEU . 7.1 t -65.41 -41.68 93.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.408 ' N ' HG23 ' A' ' 30' ' ' THR . 15.7 mt -67.86 -21.79 65.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 124.24 -29.2 5.13 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.53 157.94 0.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.935 0.397 . . . . 0.0 110.859 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -115.68 4.36 14.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.145 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.7 p -97.95 46.47 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.87 -55.65 3.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.088 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -76.66 -3.14 36.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -86.53 -21.99 26.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.675 HG13 ' OG1' ' A' ' 25' ' ' THR . 3.8 p -116.7 -20.84 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -54.05 -24.73 18.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.37 5.63 13.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.5 mtt -141.24 34.44 1.7 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.9 ptt? -88.09 -19.24 27.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -101.43 5.75 42.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.125 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -127.08 22.72 6.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.1 pt -115.53 -26.25 2.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 179.66 -54.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.446 HG21 ' HA2' ' A' ' 52' ' ' GLY . 13.6 m -50.18 126.45 14.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -119.8 -16.94 8.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -76.3 -128.5 0.29 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.48 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -84.87 -41.65 15.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.851 0.358 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.446 ' HA2' HG21 ' A' ' 48' ' ' THR . . . 156.89 56.53 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.462 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.478 ' N ' HD21 ' A' ' 21' ' ' LEU . 51.0 m-85 -141.63 170.71 15.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.793 0.33 . . . . 0.0 110.903 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.619 HD12 ' HB2' ' A' ' 59' ' ' PHE . 4.8 pt -154.12 126.6 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -61.15 -70.22 0.19 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -161.55 -48.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -56.16 -51.67 67.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -62.52 -27.88 69.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.619 ' HB2' HD12 ' A' ' 54' ' ' ILE . 9.5 t80 -72.07 -26.86 62.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 39.2 mm -85.12 -29.38 6.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 39.7 t -51.39 -55.03 20.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.83 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -77.25 -14.13 59.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 18.5 t -83.81 54.78 3.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -53.28 -39.9 64.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 49.68 41.77 22.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.122 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.565 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -85.89 -66.0 0.2 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.647 0.737 . . . . 0.0 110.922 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.565 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.5 Cg_endo -69.84 -36.86 9.82 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.614 2.209 . . . . 0.0 112.359 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 133.11 34.55 0.32 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.446 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.56 HD23 ' HG2' ' A' ' 67' ' ' PRO . 0.5 OUTLIER -82.68 -32.74 27.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.852 0.358 . . . . 0.0 110.933 -179.922 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.449 ' HE3' HD12 ' A' ' 69' ' ' LEU . 5.3 mmt -115.57 -21.7 9.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -82.82 -32.12 27.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -99.9 30.33 3.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.894 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.401 ' HA ' HG23 ' A' ' 76' ' ' VAL . 0.3 OUTLIER -129.27 -32.57 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.06 -29.74 63.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.8 mmmt -90.92 -14.08 32.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.458 HG12 ' H ' ' A' ' 77' ' ' PHE . 2.5 t -88.62 165.49 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.458 ' H ' HG12 ' A' ' 76' ' ' VAL . 14.9 t80 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.503 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 11.8 p-10 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.752 0.311 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -118.64 -26.56 6.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -58.25 -50.2 74.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 33.3 ttt85 -57.57 -24.28 55.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.884 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.406 HG22 ' CE2' ' A' ' 11' ' ' PHE . 2.0 mt -85.4 -51.04 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -51.27 -59.9 3.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -51.9 -30.98 26.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.58 -48.4 60.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.845 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.569 ' C ' HG22 ' A' ' 19' ' ' ILE . 39.4 m-85 -80.12 0.15 33.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -98.01 49.44 1.01 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.166 -179.883 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.1 mtmt -91.2 -178.55 5.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.789 0.328 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.569 HG22 ' C ' ' A' ' 11' ' ' PHE . 36.0 pt -145.21 134.64 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.04 104.05 1.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.462 ' O ' HG22 ' A' ' 25' ' ' THR . 0.0 OUTLIER -49.96 -49.26 50.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.92 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.9 t -50.59 -29.98 12.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.801 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -84.12 -31.43 25.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.51 ' CD2' HD11 ' A' ' 28' ' ' LEU . 10.4 tt -75.32 -55.33 5.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.954 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.645 ' HA ' HD12 ' A' ' 28' ' ' LEU . 9.2 t -53.13 -26.11 15.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -95.43 -22.23 17.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.414 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . . . -94.26 21.27 7.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.079 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.645 HD12 ' HA ' ' A' ' 25' ' ' THR . 1.8 mt -101.16 -52.14 3.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 44.7 ttt180 -57.05 -22.15 36.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.3 t -79.49 -15.02 58.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.2 mt -94.99 4.78 53.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.465 ' HA3' HG11 ' A' ' 76' ' ' VAL . . . 105.15 19.92 10.24 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.47 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 m -92.96 161.87 14.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.91 0.386 . . . . 0.0 110.827 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.38 9.19 3.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.103 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.2 m -132.65 36.49 3.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.827 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.562 ' HB1' ' O ' ' A' ' 25' ' ' THR . . . -81.97 -37.46 26.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.086 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.416 ' HA ' ' HB2' ' A' ' 40' ' ' GLN . 19.2 t70 -68.47 -26.55 65.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.823 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -55.3 -52.43 63.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.442 ' O ' HG22 ' A' ' 39' ' ' VAL . 5.9 p -85.72 -13.7 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.416 ' HB2' ' HA ' ' A' ' 37' ' ' ASP . 0.6 OUTLIER -61.67 -15.38 39.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.921 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.43 10.99 14.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.423 ' HG2' ' HA ' ' A' ' 39' ' ' VAL . 0.6 OUTLIER -145.39 15.05 1.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.467 ' O ' HD11 ' A' ' 46' ' ' ILE . 1.3 tpt -80.61 -17.21 52.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.892 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -100.13 10.37 41.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.124 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -137.53 25.94 2.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.698 HD12 ' N ' ' A' ' 47' ' ' ASP . 1.5 pp -121.16 -26.16 2.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.165 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.698 ' N ' HD12 ' A' ' 46' ' ' ILE . 7.4 m-20 -159.82 -61.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.8 m -49.89 136.97 17.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -78.53 -75.33 0.23 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -162.57 57.9 0.29 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.5 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -132.76 -53.44 0.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.852 0.358 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 116.49 22.24 4.48 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.472 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.451 ' N ' HD21 ' A' ' 21' ' ' LEU . 55.2 m-85 -143.11 172.14 13.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 110.864 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.599 HD12 ' HB2' ' A' ' 59' ' ' PHE . 5.0 pt -153.91 132.58 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.122 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -67.48 -70.03 0.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -160.18 -53.34 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -54.21 -43.34 70.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.23 -16.5 62.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.599 ' HB2' HD12 ' A' ' 54' ' ' ILE . 11.7 t80 -89.59 -21.75 22.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 33.1 mm -93.25 -30.8 4.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.168 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.3 t -50.15 -60.49 2.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -72.39 -22.9 61.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 17.2 t -90.01 87.28 6.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -101.01 -12.29 18.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.522 ' HB1' ' HB2' ' A' ' 71' ' ' LYS . . . 44.92 42.19 5.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.088 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.57 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -84.66 -66.94 0.2 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.592 0.711 . . . . 0.0 110.902 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.57 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.6 Cg_endo -69.76 -10.11 27.75 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.689 2.26 . . . . 0.0 112.366 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.03 35.35 4.83 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.607 HD12 ' HE3' ' A' ' 70' ' ' MET . 0.6 OUTLIER -89.45 -28.34 19.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.79 0.328 . . . . 0.0 110.97 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.607 ' HE3' HD12 ' A' ' 69' ' ' LEU . 7.1 mmt -116.66 -21.34 9.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.522 ' HB2' ' HB1' ' A' ' 65' ' ' ALA . 22.7 tptt -80.32 -29.97 38.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -106.53 34.59 3.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -126.95 -29.22 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.169 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.503 ' HB2' ' O ' ' A' ' 3' ' ' ASP . . . -86.92 1.37 52.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.109 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -116.87 -22.32 8.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.465 HG11 ' HA3' ' A' ' 32' ' ' GLY . 80.4 t -60.67 -73.94 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.148 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 7.9 t80 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.979 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 84.8 m-20 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.797 0.332 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.42 -31.72 3.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -57.46 -49.78 75.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.91 -27.36 18.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.475 HG22 ' CE2' ' A' ' 11' ' ' PHE . 1.4 mt -90.53 -37.16 9.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -66.74 -37.34 84.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.3 mtpp -74.24 -22.56 59.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.57 -44.01 25.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.475 ' CE2' HG22 ' A' ' 7' ' ' ILE . 42.2 m-85 -79.21 -22.26 45.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -81.92 57.11 3.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.109 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 41.6 mttt -91.33 166.86 12.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.735 0.302 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.453 HD11 ' CD1' ' A' ' 59' ' ' PHE . 29.9 pt -126.78 135.63 63.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.29 106.1 1.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.754 ' CD1' HG21 ' A' ' 48' ' ' THR . 0.0 OUTLIER -44.49 -50.47 9.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.933 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.6 t -49.24 -45.31 44.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.834 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -64.0 -30.94 71.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.512 ' CD2' HD11 ' A' ' 28' ' ' LEU . 9.9 tt -79.14 -58.37 3.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.73 ' OG1' HG13 ' A' ' 39' ' ' VAL . 11.1 t -54.49 -23.12 14.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -95.74 -18.6 20.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -103.62 28.47 6.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.069 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.713 HD21 ' HE1' ' A' ' 70' ' ' MET . 1.5 mt -105.93 -54.09 2.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.949 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.7 ttt-85 -56.71 -25.22 53.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.1 t -80.01 -15.82 56.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.121 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.3 mt -102.74 17.62 23.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.47 50.95 4.53 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.7 m -117.0 144.09 44.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.012 0.434 . . . . 0.0 110.856 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.86 -50.04 4.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.101 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.17 72.93 9.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -103.54 -53.18 2.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.137 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -61.93 -18.63 60.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -54.87 -29.45 55.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.73 HG13 ' OG1' ' A' ' 25' ' ' THR . 6.6 p -116.2 -23.22 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.131 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.7 tm0? -54.69 -23.01 15.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -117.62 10.14 13.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 11.0 mtt -147.18 31.55 0.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 11.4 ptt? -80.06 -26.18 39.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -91.78 15.15 13.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -138.82 26.46 2.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -118.63 -34.27 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -169.78 -64.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.754 HG21 ' CD1' ' A' ' 21' ' ' LEU . 9.9 t -48.18 164.31 0.05 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -152.13 -38.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -65.05 -146.07 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.447 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -49.15 -37.04 20.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.811 0.339 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 130.95 63.98 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.476 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -139.64 173.44 11.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.775 0.322 . . . . 0.0 110.888 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.702 HD12 ' HA ' ' A' ' 59' ' ' PHE . 6.6 pt -152.05 132.8 4.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.118 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -72.21 -59.28 2.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.413 ' CE1' HD11 ' A' ' 60' ' ' ILE . 13.9 t80 -169.04 -52.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -52.12 -45.27 64.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -73.72 -23.51 59.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.702 ' HA ' HD12 ' A' ' 54' ' ' ILE . 18.3 t80 -75.21 -35.31 61.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.413 HD11 ' CE1' ' A' ' 56' ' ' PHE . 27.2 mm -79.66 -30.45 13.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.1 t -52.22 -58.51 6.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.836 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -73.13 -14.67 61.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 30.4 t -79.93 57.82 2.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -52.85 -40.21 63.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 47.2 36.07 4.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.543 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 1.1 m-80 -84.88 -65.04 0.22 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.653 0.74 . . . . 0.0 110.926 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.543 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.6 Cg_endo -69.73 -37.21 9.55 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.638 2.225 . . . . 0.0 112.359 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 134.11 36.58 0.24 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.501 HD23 ' HG2' ' A' ' 67' ' ' PRO . 0.5 OUTLIER -85.37 -32.73 22.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.751 0.31 . . . . 0.0 110.874 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.713 ' HE1' HD21 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -119.45 -20.82 7.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.84 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -82.96 -31.78 27.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -105.36 34.94 3.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -132.48 -31.25 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.165 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 3' ' ' ASP . . . -57.48 -20.32 30.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.089 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.432 ' H ' ' HG3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -105.28 -9.84 17.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.478 HG12 ' N ' ' A' ' 77' ' ' PHE . 8.9 t -89.12 161.67 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.142 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.478 ' N ' HG12 ' A' ' 76' ' ' VAL . 32.0 p90 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.453 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 2.3 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.835 0.35 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -122.78 -27.51 4.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -68.74 -26.54 65.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -74.01 -22.1 59.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.9 mt -94.24 -52.25 9.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.161 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -52.0 -40.79 61.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -68.84 -30.7 69.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.937 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.3 -43.98 66.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -79.2 -22.08 45.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -78.78 57.55 2.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.8 p . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 -179.915 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.6 mttm -92.28 -173.82 3.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.811 0.339 . . . . 0.0 110.848 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.459 HD12 HD12 ' A' ' 24' ' ' LEU . 46.2 pt -145.71 137.52 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.28 100.46 0.63 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.528 HD21 HG21 ' A' ' 48' ' ' THR . 0.0 OUTLIER -44.54 -54.79 5.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.3 p -49.9 -44.63 50.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -63.87 -31.18 72.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.506 HD23 ' CD1' ' A' ' 28' ' ' LEU . 9.9 tt -78.7 -58.74 3.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.65 ' HA ' HD12 ' A' ' 28' ' ' LEU . 9.4 t -54.33 -22.84 13.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -96.68 -19.66 18.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -100.07 24.34 8.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.65 HD12 ' HA ' ' A' ' 25' ' ' THR . 1.9 mt -103.68 -57.74 1.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.738 ' HD3' ' HB3' ' A' ' 36' ' ' ALA . 0.6 OUTLIER -57.32 -21.9 38.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.4 t -79.57 -15.12 58.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.437 ' O ' HG11 ' A' ' 76' ' ' VAL . 33.7 mt -102.17 11.75 37.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.44 56.5 2.51 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.45 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.7 m -115.91 -169.62 1.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.943 0.402 . . . . 0.0 110.854 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.17 -50.2 0.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 m -87.53 72.14 9.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.738 ' HB3' ' HD3' ' A' ' 29' ' ' ARG . . . -114.65 -52.66 2.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.426 ' HA ' ' HB2' ' A' ' 40' ' ' GLN . 20.3 t0 -70.98 -26.02 62.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -56.55 -29.9 62.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.441 ' O ' HG22 ' A' ' 39' ' ' VAL . 4.8 p -112.87 -14.15 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.069 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.426 ' HB2' ' HA ' ' A' ' 37' ' ' ASP . 1.9 tm0? -61.73 -15.43 40.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.2 ptp85 -120.65 11.3 11.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.406 ' CG ' ' HA ' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -147.9 21.14 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.606 ' SD ' HG21 ' A' ' 25' ' ' THR . 2.1 ptt? -75.2 -22.86 57.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.41 16.47 11.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -138.55 22.51 2.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -116.59 -25.94 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -173.88 -49.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.528 HG21 HD21 ' A' ' 21' ' ' LEU . 2.4 m -54.89 103.32 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.102 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -55.44 -35.91 65.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 151.21 44.48 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.465 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -111.93 -10.53 13.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.807 0.337 . . . . 0.0 110.848 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 75.33 0.53 62.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.471 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.418 ' N ' HD21 ' A' ' 21' ' ' LEU . 70.1 m-85 -135.14 173.71 11.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 110.877 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.627 HD12 ' HB2' ' A' ' 59' ' ' PHE . 6.4 pt -151.38 133.51 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.164 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -67.5 -67.97 0.42 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -162.88 -52.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -51.78 -49.08 63.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.54 -28.98 70.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.627 ' HB2' HD12 ' A' ' 54' ' ' ILE . 33.4 t80 -76.21 -31.07 58.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.892 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 35.3 mm -85.23 -25.12 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 60.4 m -55.74 -53.46 56.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.814 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -79.36 -18.04 53.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 9.7 t -93.94 91.3 6.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -105.84 -12.05 16.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.525 ' HB1' ' HB2' ' A' ' 71' ' ' LYS . . . 42.34 50.88 4.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.074 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.576 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -87.7 -67.09 0.16 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.642 0.735 . . . . 0.0 110.936 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.591 ' HG2' HD23 ' A' ' 69' ' ' LEU . 54.2 Cg_endo -69.83 -36.67 10.2 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.686 2.258 . . . . 0.0 112.338 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 132.19 34.0 0.39 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.504 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.591 HD23 ' HG2' ' A' ' 67' ' ' PRO . 0.5 OUTLIER -85.87 -33.08 21.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.806 0.336 . . . . 0.0 110.908 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.429 ' HG2' ' HG ' ' A' ' 69' ' ' LEU . 48.1 mmm -115.84 -21.32 9.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.525 ' HB2' ' HB1' ' A' ' 65' ' ' ALA . 49.0 tttt -72.82 -21.89 60.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -129.48 44.85 2.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.822 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -132.81 -29.33 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.453 ' HB2' ' O ' ' A' ' 3' ' ' ASP . . . -82.02 -4.08 55.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.104 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.72 -13.33 9.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.437 HG11 ' O ' ' A' ' 31' ' ' LEU . 55.5 t -50.58 -71.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 48.2 p90 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.982 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.813 0.34 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -125.16 -30.66 3.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.5 mp0 -57.46 -24.6 56.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -78.94 -18.72 53.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.543 HG22 ' CE2' ' A' ' 11' ' ' PHE . 0.9 OUTLIER -101.29 -39.86 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.107 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -54.04 -59.81 4.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -56.04 -28.66 58.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -67.14 -47.17 71.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.543 ' CE2' HG22 ' A' ' 7' ' ' ILE . 46.5 m-85 -78.94 -22.37 45.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -94.85 23.84 5.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.816 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.12 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.3 mttm -135.97 171.35 14.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.765 0.317 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.499 HD12 HD12 ' A' ' 24' ' ' LEU . 30.7 pt -127.9 134.49 65.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.162 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.61 97.97 0.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.815 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.558 ' O ' HG22 ' A' ' 25' ' ' THR . 0.0 OUTLIER -48.14 -44.54 32.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.5 t -48.45 -30.97 5.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -88.36 -31.13 19.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.544 ' CD2' HD11 ' A' ' 28' ' ' LEU . 10.4 tt -72.01 -53.77 11.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.922 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.647 ' HA ' HD12 ' A' ' 28' ' ' LEU . 5.4 t -53.24 -28.03 25.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.138 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -94.66 -20.41 19.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.855 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.96 22.89 6.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.647 HD12 ' HA ' ' A' ' 25' ' ' THR . 2.1 mt -102.89 -55.21 2.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -54.64 -37.17 65.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.1 t -65.31 -15.2 62.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.546 HD22 ' C ' ' A' ' 77' ' ' PHE . 36.2 mt -100.46 13.34 34.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.916 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.67 -33.51 5.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.472 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.8 m -48.82 164.35 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.001 0.429 . . . . 0.0 110.876 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.42 -50.48 1.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.174 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 89.3 p -86.92 63.99 8.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.829 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.451 ' HB1' ' O ' ' A' ' 25' ' ' THR . . . -78.72 -33.56 46.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.067 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -61.62 -16.71 50.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -51.91 -29.81 21.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.7 p -118.85 -21.56 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.4 tm0? -54.35 -23.56 15.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -120.59 5.04 10.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.481 ' O ' HG23 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -134.04 24.2 3.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.421 ' HB2' HD13 ' A' ' 21' ' ' LEU . 9.8 ptt? -78.81 -20.55 49.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.58 2.29 44.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -121.2 15.27 11.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.481 HG23 ' O ' ' A' ' 42' ' ' MET . 1.2 pt -110.83 -33.0 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -179.65 -45.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.444 HG21 HD11 ' A' ' 21' ' ' LEU . 13.0 m -51.51 115.85 1.81 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.155 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -117.58 -17.95 9.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.861 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -66.72 -117.17 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -112.17 -20.14 12.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.883 0.373 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 145.24 55.27 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.45 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.51 ' N ' HD21 ' A' ' 21' ' ' LEU . 87.6 m-85 -146.13 169.52 18.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.787 0.327 . . . . 0.0 110.902 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.502 HD12 ' HA ' ' A' ' 59' ' ' PHE . 6.7 pt -154.54 127.17 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.124 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -69.28 -67.2 0.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -161.07 -53.65 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -51.9 -45.16 64.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.46 ' HB2' HG22 ' A' ' 54' ' ' ILE . 1.9 mt-10 -72.27 -29.42 63.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.502 ' HA ' HD12 ' A' ' 54' ' ' ILE . 25.0 t80 -71.85 -29.7 64.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.876 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.425 ' HA ' ' HB2' ' A' ' 63' ' ' CYS . 30.1 mm -85.14 -21.91 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.152 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.4 p -58.94 -45.87 89.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -88.53 -20.92 24.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.425 ' HB2' ' HA ' ' A' ' 60' ' ' ILE . 17.8 m -86.91 49.58 1.84 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -61.32 -39.43 90.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.756 ' HB2' ' HB2' ' A' ' 70' ' ' MET . . . 58.59 46.23 14.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.109 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.551 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -79.46 -65.75 0.29 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.618 0.723 . . . . 0.0 110.874 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.586 ' HG2' HD23 ' A' ' 69' ' ' LEU . 53.7 Cg_endo -69.79 -37.41 9.14 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.672 2.248 . . . . 0.0 112.308 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 136.01 38.74 0.17 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.616 HD12 ' SD ' ' A' ' 70' ' ' MET . 0.4 OUTLIER -87.84 -30.92 19.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.821 0.343 . . . . 0.0 110.918 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.756 ' HB2' ' HB2' ' A' ' 65' ' ' ALA . 17.7 mmm -113.37 -21.7 10.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.0 tttt -82.9 -32.28 27.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -97.98 22.97 8.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -126.53 -31.27 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.181 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.05 -30.31 61.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.7 mmmt -90.33 -15.49 31.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.462 HG12 ' H ' ' A' ' 77' ' ' PHE . 2.8 t -88.37 165.5 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.144 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.546 ' C ' HD22 ' A' ' 31' ' ' LEU . 76.5 m-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 94.9 m-20 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.804 0.335 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.51 -29.03 4.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -69.45 -22.89 63.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 21.4 tpp180 -78.2 -25.05 46.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.566 HG22 ' CE2' ' A' ' 11' ' ' PHE . 0.7 OUTLIER -97.91 -40.1 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.097 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -54.68 -59.25 4.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -55.82 -29.45 59.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.05 -45.57 77.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.566 ' CE2' HG22 ' A' ' 7' ' ' ILE . 47.2 m-85 -79.17 -22.85 44.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -81.65 57.07 3.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 -179.835 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -92.01 -174.51 3.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.807 0.337 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.616 HD12 HD12 ' A' ' 24' ' ' LEU . 25.1 pt -145.64 133.03 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.61 101.37 1.01 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.835 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.554 HD13 ' HG2' ' A' ' 43' ' ' MET . 0.0 OUTLIER -49.15 -46.36 45.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.932 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.2 t -49.13 -30.3 6.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -88.51 -31.68 18.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.616 HD12 HD12 ' A' ' 19' ' ' ILE . 10.4 tt -71.83 -55.04 8.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.637 ' HA ' HD12 ' A' ' 28' ' ' LEU . 10.0 t -52.92 -25.82 13.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.139 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -96.99 -21.48 17.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.855 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . . . -94.07 19.05 9.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.637 HD12 ' HA ' ' A' ' 25' ' ' THR . 1.9 mt -98.47 -55.19 2.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.21 -34.85 24.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.415 HG23 ' N ' ' A' ' 31' ' ' LEU . 8.0 t -61.95 -41.54 98.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.415 ' N ' HG23 ' A' ' 30' ' ' THR . 17.2 mt -67.2 -27.51 67.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 118.84 51.29 0.3 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.476 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.573 ' HB3' HG21 ' A' ' 73' ' ' VAL . 1.0 OUTLIER -120.87 -178.09 3.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.986 0.422 . . . . 0.0 110.851 -179.75 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -125.29 3.36 7.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.137 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 99.5 p -116.45 70.6 0.77 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.96 -15.55 8.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.458 ' HA ' ' HB2' ' A' ' 40' ' ' GLN . 0.7 OUTLIER -115.06 -32.87 5.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -57.84 -50.53 73.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.2 p -83.28 -19.67 9.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.084 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.458 ' HB2' ' HA ' ' A' ' 37' ' ' ASP . 0.0 OUTLIER -53.12 -24.47 10.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.88 14.54 12.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.819 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 12.6 mtt -143.03 21.09 1.94 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.554 ' HG2' HD13 ' A' ' 21' ' ' LEU . 1.4 ttt -84.44 -18.18 36.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -98.46 3.41 48.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.099 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -114.98 -6.16 12.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.1 pt -92.88 -32.77 5.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.106 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -167.06 -55.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.554 HG21 HD11 ' A' ' 21' ' ' LEU . 91.5 m -48.09 111.62 0.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -62.93 -77.22 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -161.94 42.53 0.38 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.501 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -112.27 -42.15 3.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.869 0.366 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.83 22.01 11.51 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.51 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.494 ' N ' HD21 ' A' ' 21' ' ' LEU . 92.4 m-85 -147.83 171.92 14.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.831 0.348 . . . . 0.0 110.885 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.563 HD12 ' HB2' ' A' ' 59' ' ' PHE . 6.1 pt -153.75 132.57 3.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.11 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -67.72 -68.63 0.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -163.38 -53.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -51.03 -44.93 61.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -72.5 -25.43 61.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.563 ' HB2' HD12 ' A' ' 54' ' ' ILE . 8.9 t80 -75.96 -36.09 59.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 23.6 mm -76.94 -28.22 16.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.88 -53.38 41.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -85.01 -24.3 28.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 11.2 t -87.52 47.04 1.44 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -61.03 -40.41 93.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.77 ' HB2' ' HB2' ' A' ' 70' ' ' MET . . . 57.0 38.41 29.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.103 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.542 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -77.82 -64.78 0.39 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.615 0.722 . . . . 0.0 110.902 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.542 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.2 Cg_endo -69.77 -8.35 23.38 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.67 2.247 . . . . 0.0 112.307 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.28 51.14 1.36 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.449 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.659 HD12 ' HE3' ' A' ' 70' ' ' MET . 0.5 OUTLIER -103.7 -30.58 10.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.82 0.343 . . . . 0.0 110.884 -179.906 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.77 ' HB2' ' HB2' ' A' ' 65' ' ' ALA . 8.3 mmt -116.75 -21.25 9.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.4 tttm -77.07 -28.96 54.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.416 ' HA ' ' HD3' ' A' ' 75' ' ' LYS . 9.2 p-10 -102.9 32.83 3.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.573 HG21 ' HB3' ' A' ' 33' ' ' SER . 0.3 OUTLIER -133.44 -33.35 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 3' ' ' ASP . . . -58.68 -31.18 67.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.095 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.416 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 0.0 OUTLIER -89.63 -15.1 33.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.553 HG12 ' H ' ' A' ' 77' ' ' PHE . 1.6 t -89.98 170.58 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.553 ' H ' HG12 ' A' ' 76' ' ' VAL . 58.7 m-85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.434 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 78.3 m-20 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.843 0.354 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -118.02 -24.86 6.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -68.88 -32.3 71.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -69.33 -22.17 63.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.435 HG22 ' CE2' ' A' ' 11' ' ' PHE . 1.7 mt -95.35 -49.15 12.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -52.29 -38.97 59.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -72.12 -28.57 63.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.24 -43.2 64.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.435 ' CE2' HG22 ' A' ' 7' ' ' ILE . 44.1 m-85 -79.1 -23.63 43.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.874 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -81.63 57.23 3.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.168 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.9 mttm -91.9 -171.68 2.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.762 0.315 . . . . 0.0 110.924 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.507 HD12 HD12 ' A' ' 24' ' ' LEU . 37.2 pt -146.79 147.04 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.126 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.431 ' CB ' ' HB2' ' A' ' 23' ' ' GLU . 67.8 m -58.5 112.46 1.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.689 HD11 ' HB2' ' A' ' 43' ' ' MET . 0.1 OUTLIER -71.72 -65.85 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.932 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.4 m -48.94 -19.8 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.431 ' HB2' ' CB ' ' A' ' 20' ' ' SER . 41.4 mm-40 -91.19 -28.8 17.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.513 ' CD2' HD11 ' A' ' 28' ' ' LEU . 10.5 tt -70.17 -54.83 11.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.683 ' OG1' HG13 ' A' ' 39' ' ' VAL . 13.9 t -53.33 -25.24 14.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -97.35 -21.14 17.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.07 17.76 10.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.604 HD12 ' HA ' ' A' ' 25' ' ' THR . 2.3 mt -99.45 -50.48 4.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.655 ' HD3' ' HB3' ' A' ' 36' ' ' ALA . 2.9 tpt180 -56.69 -22.79 37.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.4 t -79.29 -15.34 58.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 27.8 mt -102.73 12.18 36.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.65 ' HA3' HG11 ' A' ' 76' ' ' VAL . . . 75.37 57.87 4.12 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.511 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -121.48 -178.43 3.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.99 0.424 . . . . 0.0 110.832 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.68 12.1 3.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.138 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.481 ' O ' HG12 ' A' ' 39' ' ' VAL . 14.5 t -119.28 35.59 4.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.655 ' HB3' ' HD3' ' A' ' 29' ' ' ARG . . . -88.88 -54.8 3.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.138 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.59 -3.75 39.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -85.85 -52.65 5.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.683 HG13 ' OG1' ' A' ' 25' ' ' THR . 4.8 p -77.43 -20.21 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.123 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.44 -25.31 9.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.0 ptp85 -123.45 -2.89 8.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.517 ' O ' HG23 ' A' ' 46' ' ' ILE . 11.5 mtt -114.55 11.57 17.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.689 ' HB2' HD11 ' A' ' 21' ' ' LEU . 9.9 ptt? -75.56 -24.73 56.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -97.36 14.59 25.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -136.93 17.45 3.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.517 HG23 ' O ' ' A' ' 42' ' ' MET . 1.1 pt -114.79 -32.89 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 179.57 -45.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.549 HG21 HD12 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -52.11 115.43 1.71 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.142 -179.882 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -57.42 -75.28 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -173.91 44.43 0.15 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -112.74 -37.9 4.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.836 0.351 . . . . 0.0 110.837 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.65 23.37 8.85 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.477 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.411 ' O ' HG23 ' A' ' 48' ' ' THR . 92.5 m-85 -147.35 173.32 12.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.823 0.344 . . . . 0.0 110.884 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.642 HD12 ' HB2' ' A' ' 59' ' ' PHE . 6.9 pt -153.09 129.1 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -68.09 -65.19 0.73 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -165.14 -53.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -52.4 -50.33 62.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.836 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -63.08 -29.4 70.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.642 ' HB2' HD12 ' A' ' 54' ' ' ILE . 10.3 t80 -72.97 -36.62 67.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 27.9 mm -77.42 -23.34 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.113 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.1 t -60.56 -46.42 90.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -78.47 -16.38 57.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 61.0 m -84.83 53.15 2.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -60.57 -39.18 87.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.633 ' HB2' ' HB2' ' A' ' 70' ' ' MET . . . 60.26 38.46 19.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.55 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -84.09 -65.4 0.22 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.584 0.707 . . . . 0.0 110.892 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.634 ' HG2' HD23 ' A' ' 69' ' ' LEU . 54.2 Cg_endo -69.71 -37.13 9.72 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.706 2.271 . . . . 0.0 112.375 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 134.08 34.76 0.28 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.508 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.634 HD23 ' HG2' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -87.21 -23.31 24.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.828 0.346 . . . . 0.0 110.953 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.633 ' HB2' ' HB2' ' A' ' 65' ' ' ALA . 28.8 mmm -116.58 -21.87 8.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.6 tttm -83.39 -17.99 40.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.935 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -130.01 46.56 2.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -137.21 -30.42 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.116 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.434 ' HB2' ' O ' ' A' ' 3' ' ' ASP . . . -84.23 -4.55 58.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.092 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.54 -13.0 9.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.65 HG11 ' HA3' ' A' ' 32' ' ' GLY . 79.7 t -51.28 -73.58 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 7.9 t80 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.976 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.469 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 24.2 m-20 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.784 0.326 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -128.38 -32.24 2.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 22.8 mp0 -58.96 -29.94 67.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.9 ttp85 -70.78 -19.35 62.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.91 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.564 HG22 ' CE2' ' A' ' 11' ' ' PHE . 0.9 OUTLIER -101.94 -41.02 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -54.93 -61.82 2.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -53.08 -29.52 30.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -50.92 60.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.58 ' C ' HG22 ' A' ' 19' ' ' ILE . 37.6 m-85 -80.9 0.26 36.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -91.69 49.55 1.59 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.189 -179.913 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.563 -0.215 . . . . 0.0 112.563 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.4 mtpt -92.09 177.22 6.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.797 0.332 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.58 HG22 ' C ' ' A' ' 11' ' ' PHE . 38.8 pt -145.69 134.5 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.445 ' HG ' ' HE2' ' A' ' 53' ' ' PHE . 0.8 OUTLIER -67.95 97.05 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.933 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.495 HD11 HG21 ' A' ' 48' ' ' THR . 0.0 OUTLIER -48.62 -44.78 37.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 83.6 p -48.37 -30.23 4.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -87.53 -32.38 19.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.526 ' CD2' HD11 ' A' ' 28' ' ' LEU . 10.4 tt -72.86 -55.73 6.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.626 ' HA ' HD12 ' A' ' 28' ' ' LEU . 10.2 t -53.08 -25.61 13.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -96.12 -21.42 17.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.825 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.7 21.24 7.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.626 HD12 ' HA ' ' A' ' 25' ' ' THR . 2.1 mt -102.11 -53.14 2.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.7 ttt180 -56.79 -22.8 38.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.6 t -79.57 -15.24 58.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.457 HD22 ' CD1' ' A' ' 77' ' ' PHE . 16.5 mt -100.48 10.08 41.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.961 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.01 51.8 2.19 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.455 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 m -123.57 161.05 25.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.947 0.403 . . . . 0.0 110.818 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.56 3.77 5.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.132 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 63.5 p -127.83 50.72 2.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.62 ' HB1' ' O ' ' A' ' 25' ' ' THR . . . -103.08 -37.0 7.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.101 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.427 ' HA ' ' HB2' ' A' ' 40' ' ' GLN . 9.5 t0 -69.9 -23.14 63.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.837 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -56.19 -54.59 43.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.47 ' O ' HG22 ' A' ' 39' ' ' VAL . 6.1 p -84.56 -12.21 11.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.115 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.427 ' HB2' ' HA ' ' A' ' 37' ' ' ASP . 0.4 OUTLIER -63.38 -12.54 31.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.944 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.57 5.4 7.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.422 ' HG2' ' HA ' ' A' ' 39' ' ' VAL . 3.3 ptm -132.19 3.14 3.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 16.2 ptt? -61.82 -16.87 53.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.831 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -102.15 21.12 15.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.072 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -150.39 31.7 0.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -121.35 -77.74 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -139.17 -25.71 0.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.495 HG21 HD11 ' A' ' 21' ' ' LEU . 45.5 m -43.43 121.75 2.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.168 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -123.79 -9.98 7.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -87.89 27.78 6.42 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 53.64 37.65 26.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.347 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 122.51 23.32 2.36 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.479 ' N ' HD21 ' A' ' 21' ' ' LEU . 90.3 m-85 -147.83 170.57 17.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.794 0.33 . . . . 0.0 110.875 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.581 HD12 ' HA ' ' A' ' 59' ' ' PHE . 4.0 pt -155.37 119.76 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.131 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -57.19 -70.96 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -162.69 -52.52 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -56.03 -26.25 48.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.419 ' CB ' HG22 ' A' ' 54' ' ' ILE . 71.6 mt-10 -88.4 -30.09 19.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.581 ' HA ' HD12 ' A' ' 54' ' ' ILE . 17.9 t80 -73.74 -25.54 60.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 31.8 mm -88.27 -30.35 5.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.16 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.67 -55.68 18.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -78.43 -19.15 53.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 35.4 t -95.33 82.75 3.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -100.33 -12.9 19.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.605 ' HB2' ' HB2' ' A' ' 70' ' ' MET . . . 45.02 45.0 8.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.116 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.554 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -80.98 -66.29 0.24 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.595 0.712 . . . . 0.0 110.889 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.56 ' HG2' HD23 ' A' ' 69' ' ' LEU . 53.9 Cg_endo -69.77 -10.1 27.72 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.702 2.268 . . . . 0.0 112.327 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.05 37.97 3.96 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.513 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.56 HD23 ' HG2' ' A' ' 67' ' ' PRO . 0.6 OUTLIER -95.47 -28.28 14.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.832 0.349 . . . . 0.0 110.915 -179.9 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.605 ' HB2' ' HB2' ' A' ' 65' ' ' ALA . 11.2 mmt -113.14 -21.19 11.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.584 ' HB2' ' HB1' ' A' ' 65' ' ' ALA . 42.4 tttm -82.83 -31.25 28.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -103.5 30.42 5.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -125.05 -28.48 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.186 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.469 ' HB2' ' O ' ' A' ' 3' ' ' ASP . . . -84.39 -2.87 57.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.6 mmtm -112.12 -22.81 10.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 88.5 t -63.83 -41.26 91.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.457 ' CD1' HD22 ' A' ' 31' ' ' LEU . 13.7 t80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.485 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 22.9 m-20 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.825 0.345 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -117.52 -31.04 5.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -59.1 -19.76 47.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 19.4 ttt85 -86.92 -6.73 58.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.5 HG22 ' CE2' ' A' ' 11' ' ' PHE . 0.8 OUTLIER -115.99 -39.35 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -51.93 -56.55 13.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.672 ' O ' HG23 ' A' ' 13' ' ' THR . 6.1 mtpm? -64.73 -19.54 65.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.901 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.53 -32.0 63.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.841 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.5 ' CE2' HG22 ' A' ' 7' ' ' ILE . 54.9 m-85 -100.75 -24.03 14.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -92.02 14.25 16.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.672 HG23 ' O ' ' A' ' 9' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.3 mttp -92.15 169.61 10.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.767 0.317 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.467 HD11 ' CD1' ' A' ' 59' ' ' PHE . 30.0 pt -127.27 133.76 67.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.137 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.16 98.26 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.6 HD13 ' CG ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -47.93 -43.32 28.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.6 p -47.43 -29.87 2.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -90.09 -32.2 16.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.506 ' CD2' HD11 ' A' ' 28' ' ' LEU . 10.4 tt -72.11 -55.38 7.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.628 ' HA ' HD12 ' A' ' 28' ' ' LEU . 9.2 t -53.28 -25.42 14.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -97.3 -20.71 17.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.12 17.7 12.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.628 HD12 ' HA ' ' A' ' 25' ' ' THR . 1.9 mt -98.17 -57.21 2.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.03 -34.67 63.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.4 t -64.32 -15.22 59.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.401 ' O ' HG11 ' A' ' 76' ' ' VAL . 28.0 mt -102.99 3.2 35.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.62 15.09 30.35 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 74.1 m -64.87 -174.18 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.939 0.4 . . . . 0.0 110.846 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.23 -51.27 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.8 m -89.58 51.97 2.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.97 -37.23 12.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.061 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -83.71 -1.7 54.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -85.46 -52.43 5.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.438 HG22 ' HB2' ' A' ' 43' ' ' MET . 2.9 p -82.46 -15.19 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -49.74 -27.87 5.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -117.77 -8.71 10.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.1 mtt -110.84 18.7 19.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.6 ' CG ' HD13 ' A' ' 21' ' ' LEU . 24.4 tpp -82.34 -24.52 34.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.836 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.42 1.86 57.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.112 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -116.44 15.5 15.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.48 HD13 ' HB2' ' A' ' 62' ' ' PHE . 1.1 pt -115.61 -27.95 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 179.15 -50.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.586 HG21 HD11 ' A' ' 21' ' ' LEU . 26.6 m -49.66 113.13 0.77 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.166 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -119.61 -16.14 8.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -70.53 -139.69 0.17 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.474 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -85.54 -5.7 59.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.905 0.383 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 123.72 55.56 0.19 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.51 ' N ' HD21 ' A' ' 21' ' ' LEU . 72.4 m-85 -143.5 169.78 17.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.365 . . . . 0.0 110.842 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.573 HD12 ' HB2' ' A' ' 59' ' ' PHE . 5.5 pt -155.34 127.57 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.134 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -69.53 -66.2 0.62 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -161.86 -52.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -54.74 -45.31 74.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.469 ' HB2' HG22 ' A' ' 54' ' ' ILE . 66.7 mt-10 -72.55 -24.35 61.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.573 ' HB2' HD12 ' A' ' 54' ' ' ILE . 7.5 t80 -79.23 -24.11 43.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 39.7 mm -91.91 -25.21 5.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.9 m -61.62 -28.3 69.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.48 ' HB2' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -90.94 -23.54 20.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 7.3 m -79.32 57.77 2.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 35.5 m-20 -51.92 -38.39 56.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.456 ' HB2' ' SD ' ' A' ' 70' ' ' MET . . . 64.67 30.09 12.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.566 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -94.85 -66.46 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.615 0.721 . . . . 0.0 110.907 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.566 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 54.0 Cg_endo -69.68 -6.57 18.89 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.659 2.24 . . . . 0.0 112.384 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 86.99 25.07 35.46 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.493 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.524 HD12 ' N ' ' A' ' 70' ' ' MET . 4.3 pp -67.39 -37.0 82.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.784 0.326 . . . . 0.0 110.939 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.524 ' N ' HD12 ' A' ' 69' ' ' LEU . 3.3 ppp? -114.54 -21.11 10.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.6 tttp -69.87 -24.79 63.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.912 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.03 35.69 4.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -127.09 -29.49 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.187 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' A' ' 3' ' ' ASP . . . -84.99 2.38 43.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.072 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.05 -10.79 8.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.401 HG11 ' O ' ' A' ' 31' ' ' LEU . 54.6 t -66.52 -68.48 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.163 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 6.6 t80 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.819 -179.959 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.504 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 4.5 m-20 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.844 0.354 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -120.45 -29.98 4.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -57.86 -35.96 71.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 -69.12 -22.17 63.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.425 HG22 ' CE2' ' A' ' 11' ' ' PHE . 1.8 mt -92.18 -48.92 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.109 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -51.81 -57.2 10.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -56.07 -26.77 50.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -45.92 55.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.873 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.425 ' CE2' HG22 ' A' ' 7' ' ' ILE . 40.4 m-85 -78.8 -21.38 47.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -80.23 57.24 2.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.9 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.104 -179.867 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.4 mttp -136.26 176.78 8.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.78 0.324 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.626 HD12 HD12 ' A' ' 24' ' ' LEU . 19.7 pt -126.93 147.09 31.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.181 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.9 p -57.51 112.61 1.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.93 HD12 HG21 ' A' ' 48' ' ' THR . 0.2 OUTLIER -69.68 -68.13 0.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.8 p -48.61 -20.87 0.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -90.76 -30.26 17.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.626 HD12 HD12 ' A' ' 19' ' ' ILE . 10.5 tt -70.2 -54.59 12.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.608 ' HA ' HD12 ' A' ' 28' ' ' LEU . 10.1 t -53.16 -25.72 14.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -97.45 -20.53 17.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.63 18.48 9.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.126 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.608 HD12 ' HA ' ' A' ' 25' ' ' THR . 2.3 mt -99.87 -58.54 1.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.961 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.0 ttt85 -51.51 -33.5 32.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.408 HG23 ' N ' ' A' ' 31' ' ' LEU . 6.2 t -61.26 -42.13 98.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.408 ' N ' HG23 ' A' ' 30' ' ' THR . 11.3 mt -72.79 -0.75 14.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 102.77 12.8 31.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.451 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.471 ' OG ' HG21 ' A' ' 73' ' ' VAL . 69.1 m -60.3 -172.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.941 0.401 . . . . 0.0 110.878 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.09 -50.64 0.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.108 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.4 p -87.6 54.22 3.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.2 -52.33 8.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.078 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.411 ' HA ' ' HB2' ' A' ' 40' ' ' GLN . 6.0 t70 -73.64 -26.0 60.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -55.47 -30.74 61.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.0 p -110.64 -20.26 6.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.179 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.411 ' HB2' ' HA ' ' A' ' 37' ' ' ASP . 1.0 OUTLIER -53.13 -24.5 10.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.915 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.78 15.8 11.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.6 mtt -141.81 17.43 2.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.447 ' HG2' HD11 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -81.98 -24.22 35.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.91 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -90.63 8.76 32.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -124.39 5.47 8.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.642 HD13 ' HB2' ' A' ' 62' ' ' PHE . 1.0 OUTLIER -113.19 -19.69 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -177.47 -57.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.93 HG21 HD12 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -50.02 121.98 6.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 -179.879 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -77.38 -22.95 50.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.849 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 141.99 -10.05 2.55 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -58.38 -17.96 24.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.828 0.347 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.13 27.27 60.35 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.51 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.466 ' O ' HG23 ' A' ' 48' ' ' THR . 88.8 m-85 -150.15 172.96 14.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.894 0.378 . . . . 0.0 110.863 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.507 HD12 ' HB2' ' A' ' 59' ' ' PHE . 4.9 pt -153.95 121.56 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.159 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -64.3 -62.12 1.81 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -168.21 -52.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -58.82 -24.77 62.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.446 ' CB ' HG22 ' A' ' 54' ' ' ILE . 40.4 mt-10 -88.02 -16.2 34.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.507 ' HB2' HD12 ' A' ' 54' ' ' ILE . 19.9 t80 -90.01 -26.96 20.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 33.7 mm -87.01 -22.17 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.108 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 80.2 p -60.44 -46.0 91.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.642 ' HB2' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -86.61 -22.18 26.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 10.6 m -84.1 51.99 2.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -60.92 -38.67 86.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.648 ' HB2' ' HB2' ' A' ' 70' ' ' MET . . . 62.46 40.81 10.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.548 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -79.5 -65.29 0.3 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.614 0.721 . . . . 0.0 110.876 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.548 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.9 Cg_endo -69.73 -9.52 26.31 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.671 2.247 . . . . 0.0 112.358 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.24 36.65 5.11 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.466 ' HG ' ' HG2' ' A' ' 70' ' ' MET . 0.6 OUTLIER -88.86 -28.29 20.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.832 0.349 . . . . 0.0 110.937 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.648 ' HB2' ' HB2' ' A' ' 65' ' ' ALA . 27.9 mmm -99.04 -22.52 15.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -85.63 -32.24 22.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -96.26 28.34 3.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.899 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.471 HG21 ' OG ' ' A' ' 33' ' ' SER . 0.3 OUTLIER -130.88 -28.82 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.088 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 3' ' ' ASP . . . -85.42 0.69 51.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.06 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.7 -10.35 8.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 51.3 t -58.68 -71.63 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 86.9 t80 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.979 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.49 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 89.7 m-20 . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.839 0.352 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -126.36 -31.35 2.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -56.8 -49.71 74.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 41.7 ttm-85 -53.48 -26.61 21.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.804 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.4 mt -88.34 -52.69 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -50.62 -58.44 5.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.4 mtpt -56.14 -25.24 45.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.26 -47.7 33.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -76.83 -21.67 54.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -83.16 55.84 3.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.3 p . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 -179.866 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -71.18 178.94 3.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.726 0.298 . . . . 0.0 110.939 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.678 HD12 HD12 ' A' ' 24' ' ' LEU . 18.2 pt -127.05 146.83 32.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.129 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.472 ' CB ' ' HB2' ' A' ' 23' ' ' GLU . 58.8 m -58.23 113.56 1.99 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.572 HD12 HG21 ' A' ' 48' ' ' THR . 0.2 OUTLIER -68.24 -66.88 0.51 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.912 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.4 t -46.42 -22.44 0.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.472 ' HB2' ' CB ' ' A' ' 20' ' ' SER . 0.4 OUTLIER -88.86 -33.37 17.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.921 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.678 HD12 HD12 ' A' ' 19' ' ' ILE . 10.4 tt -71.65 -55.69 7.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.942 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.616 ' HA ' HD12 ' A' ' 28' ' ' LEU . 8.3 t -52.53 -25.95 11.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -97.12 -20.99 17.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.79 18.88 9.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.093 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.616 HD12 ' HA ' ' A' ' 25' ' ' THR . 2.1 mt -99.56 -56.46 2.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.4 ptt85 -54.47 -35.8 63.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.419 HG23 ' N ' ' A' ' 31' ' ' LEU . 7.1 t -57.72 -42.36 83.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.419 ' N ' HG23 ' A' ' 30' ' ' THR . 12.4 mt -68.82 -22.52 64.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 117.74 46.61 0.47 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.484 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.6 p -109.19 170.3 8.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.942 0.401 . . . . 0.0 110.892 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.57 10.47 5.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 77.1 p -125.69 52.85 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -102.21 -57.12 2.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -71.34 -7.61 48.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -85.89 -25.78 25.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.457 HG22 ' HB2' ' A' ' 43' ' ' MET . 3.9 p -111.86 -17.21 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.104 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -50.79 -25.4 4.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.933 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.6 ptt180 -121.06 -9.85 9.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 4.4 mmt -106.37 12.47 29.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.582 ' SD ' HD11 ' A' ' 46' ' ' ILE . 5.1 tpt -80.55 -27.37 37.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.74 8.67 27.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -126.94 16.69 7.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.582 HD11 ' SD ' ' A' ' 43' ' ' MET . 1.0 OUTLIER -123.52 -33.03 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.086 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -167.63 -58.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.572 HG21 HD12 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -48.38 109.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -51.73 -36.97 49.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 146.97 -13.75 1.49 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.518 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -49.79 -35.36 22.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.88 0.371 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 101.99 26.42 7.48 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.466 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.568 ' O ' HG23 ' A' ' 48' ' ' THR . 94.3 m-85 -150.03 172.7 14.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.826 0.346 . . . . 0.0 110.883 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.636 HD12 ' HB2' ' A' ' 59' ' ' PHE . 11.3 pt -153.13 129.72 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.158 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -73.55 -62.81 1.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -165.47 -53.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -52.01 -44.44 64.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -71.84 -26.73 62.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.636 ' HB2' HD12 ' A' ' 54' ' ' ILE . 24.4 t80 -77.56 -23.68 50.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.838 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 39.8 mm -94.05 -32.77 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -50.61 -59.4 4.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.576 ' CB ' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -72.54 -19.14 61.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 28.6 t -95.72 85.01 4.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -99.87 -13.7 19.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.633 ' HB2' ' HB2' ' A' ' 70' ' ' MET . . . 43.2 37.79 1.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.083 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.555 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -79.59 -65.69 0.29 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.597 0.713 . . . . 0.0 110.855 -179.91 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.555 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 54.2 Cg_endo -69.79 -9.49 26.22 Favored 'Trans proline' 0 C--O 1.231 0.132 0 C-N-CA 122.675 2.25 . . . . 0.0 112.368 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.35 34.08 5.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.548 HD23 ' HG2' ' A' ' 67' ' ' PRO . 0.6 OUTLIER -91.32 -27.4 18.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.845 0.355 . . . . 0.0 110.965 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.633 ' HB2' ' HB2' ' A' ' 65' ' ' ALA . 10.9 mmt -115.4 -21.4 9.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.479 ' HB2' ' HB1' ' A' ' 65' ' ' ALA . 0.9 OUTLIER -76.36 -26.9 56.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -110.2 33.87 4.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -127.61 -29.3 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.49 ' HB2' ' O ' ' A' ' 3' ' ' ASP . . . -84.01 -3.19 57.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.3 mmtm -112.99 -21.74 10.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 77.4 t -57.38 -74.26 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.101 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.0 t80 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.467 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 19.0 m-20 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.827 0.346 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -125.29 -28.5 3.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -57.05 -34.47 68.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 72.6 ttt-85 -70.27 -10.75 59.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.489 HG22 ' CE2' ' A' ' 11' ' ' PHE . 0.9 OUTLIER -106.45 -34.6 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -66.92 -50.83 61.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -64.0 -23.21 67.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -75.56 -45.33 38.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.489 ' CE2' HG22 ' A' ' 7' ' ' ILE . 42.9 m-85 -79.17 -23.59 43.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -81.41 57.28 3.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.167 -179.894 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.9 mttm -72.9 171.38 12.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.801 0.334 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.554 HD12 HD12 ' A' ' 24' ' ' LEU . 30.5 pt -127.02 146.19 33.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.093 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 64.7 m -58.26 112.68 1.63 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.576 HD11 ' HB2' ' A' ' 43' ' ' MET . 0.1 OUTLIER -68.51 -65.67 0.67 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.5 t -48.29 -20.32 0.38 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.831 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -90.08 -29.99 17.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.554 HD12 HD12 ' A' ' 19' ' ' ILE . 10.3 tt -70.5 -55.88 7.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.954 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.602 ' HA ' HD12 ' A' ' 28' ' ' LEU . 10.1 t -53.18 -25.11 12.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.148 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -96.97 -21.21 17.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.16 22.92 6.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.136 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.602 HD12 ' HA ' ' A' ' 25' ' ' THR . 2.1 mt -103.7 -52.72 2.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.9 mmm-85 -65.43 -17.23 64.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.9 t -80.15 -14.94 58.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.108 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.1 mt -102.84 10.75 38.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 90.78 46.75 3.87 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.543 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.7 m -113.97 168.11 10.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.985 0.421 . . . . 0.0 110.849 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -133.8 7.64 3.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.106 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.3 m -126.11 55.54 1.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.441 ' HB1' ' O ' ' A' ' 25' ' ' THR . . . -114.37 -37.69 4.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.077 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -74.34 -6.69 49.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -85.85 -29.63 23.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.462 ' O ' HG22 ' A' ' 39' ' ' VAL . 4.7 p -105.43 -13.24 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.07 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -61.59 -15.28 37.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -127.7 6.8 6.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.404 ' HG2' ' HA ' ' A' ' 39' ' ' VAL . 0.3 OUTLIER -127.82 -1.52 5.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.576 ' HB2' HD11 ' A' ' 21' ' ' LEU . 11.3 ptt? -60.02 -18.45 46.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -98.37 20.54 12.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.096 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -148.25 26.66 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -121.62 -32.82 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.187 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -176.21 -44.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 97.0 m -51.39 114.48 1.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -56.0 -35.14 66.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 151.26 -18.84 0.93 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.459 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -51.84 -40.55 60.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.866 0.365 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.62 23.29 7.61 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -142.83 177.52 8.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.883 0.373 . . . . 0.0 110.854 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.713 HD12 ' HB2' ' A' ' 59' ' ' PHE . 7.7 pt -153.44 130.36 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.143 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -70.5 -64.89 0.81 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -163.84 -50.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -58.82 -49.56 77.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.459 ' CB ' HG22 ' A' ' 54' ' ' ILE . 1.8 mt-10 -59.25 -29.93 67.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.713 ' HB2' HD12 ' A' ' 54' ' ' ILE . 14.2 t80 -71.95 -48.32 46.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 31.5 mm -70.57 -20.28 22.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.159 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.4 p -52.6 -46.9 67.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.849 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.422 ' CZ ' HD13 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -101.15 -18.87 15.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 73.1 m -88.62 63.8 7.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -97.03 -8.74 29.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.785 ' HB2' ' HB2' ' A' ' 70' ' ' MET . . . 56.29 50.34 13.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.544 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -82.41 -65.54 0.24 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.615 0.722 . . . . 0.0 110.854 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.544 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.9 Cg_endo -69.73 -36.44 10.87 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.65 2.233 . . . . 0.0 112.325 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 134.19 33.22 0.32 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.528 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.523 HD23 ' HG2' ' A' ' 67' ' ' PRO . 0.5 OUTLIER -85.32 -30.46 23.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.802 0.334 . . . . 0.0 110.92 -179.891 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.785 ' HB2' ' HB2' ' A' ' 65' ' ' ALA . 17.0 mmt -117.14 -21.15 8.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.412 ' HB2' ' HB1' ' A' ' 65' ' ' ALA . 82.8 tttt -74.57 -20.91 59.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -129.93 42.82 3.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -136.52 -30.26 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.129 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' A' ' 3' ' ' ASP . . . -77.24 -5.57 49.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.112 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.31 -20.92 10.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.9 t -51.29 -73.09 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 26.2 t80 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.97 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.48 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 47.4 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.787 0.327 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -124.79 -29.14 3.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -57.47 -37.61 73.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 56.9 ttt-85 -72.15 -9.5 58.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.415 HG22 ' CE2' ' A' ' 11' ' ' PHE . 1.5 mt -100.46 -59.2 3.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -50.24 -57.57 7.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.4 mmtp -53.72 -28.29 33.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -74.4 -47.97 30.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.415 ' CE2' HG22 ' A' ' 7' ' ' ILE . 36.0 m-85 -80.59 0.48 33.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -95.4 48.54 1.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.0 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.172 -179.918 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 66.4 mttt -136.34 173.55 11.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.756 0.312 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.443 HD12 HD12 ' A' ' 24' ' ' LEU . 19.5 pt -127.23 146.19 33.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.42 ' HB3' ' HB2' ' A' ' 23' ' ' GLU . 72.5 m -60.82 97.81 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.517 ' CD2' ' C ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -53.86 -68.24 0.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.924 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.2 t -47.38 -22.11 0.39 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.42 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 3.9 tp10 -84.98 -31.38 23.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.543 ' CD2' HD11 ' A' ' 28' ' ' LEU . 10.5 tt -70.85 -54.32 11.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.922 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.708 ' OG1' HG13 ' A' ' 39' ' ' VAL . 9.8 t -53.38 -25.97 17.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -96.71 -20.72 18.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.28 23.88 5.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.161 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.594 HD12 ' HA ' ' A' ' 25' ' ' THR . 2.4 mt -104.82 -50.79 3.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -55.43 -21.62 16.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.417 HG23 ' N ' ' A' ' 31' ' ' LEU . 9.5 t -78.22 -41.27 34.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.106 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.417 ' N ' HG23 ' A' ' 30' ' ' THR . 13.1 mt -68.9 -22.61 64.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.63 60.74 1.08 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.471 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.481 ' HB2' HG23 ' A' ' 73' ' ' VAL . 0.2 OUTLIER -122.6 -9.21 8.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.932 0.396 . . . . 0.0 110.814 -179.725 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 54.1 22.65 3.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.089 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.5 m -128.0 59.92 1.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.841 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -110.25 -51.89 2.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.085 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -76.13 -1.74 27.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -85.89 -26.23 25.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.708 HG13 ' OG1' ' A' ' 25' ' ' THR . 4.7 p -112.0 -21.98 5.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.125 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.31 -24.72 12.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -121.76 13.63 10.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 9.2 mtm -140.7 19.74 2.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.508 ' HB2' HD11 ' A' ' 21' ' ' LEU . 6.9 ptt? -78.02 -22.83 48.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -97.79 10.02 41.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -126.69 14.6 7.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.888 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.1 pt -113.4 -33.83 2.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -174.7 -50.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 93.7 m -50.73 124.81 11.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.149 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -70.49 -76.12 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -164.93 40.81 0.29 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -112.37 -41.29 3.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.877 0.37 . . . . 0.0 110.846 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 101.72 23.06 9.63 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.405 ' O ' HG23 ' A' ' 54' ' ' ILE . 90.3 m-85 -145.5 172.61 12.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.844 0.354 . . . . 0.0 110.868 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.687 HD12 ' HB2' ' A' ' 59' ' ' PHE . 4.3 pt -154.54 125.3 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -58.99 -69.14 0.21 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -164.53 -52.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.838 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -55.56 -46.72 77.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.843 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -62.26 -21.45 65.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.687 ' HB2' HD12 ' A' ' 54' ' ' ILE . 4.9 t80 -85.81 -35.79 20.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 33.3 mm -78.59 -31.75 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.101 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.5 m -51.36 -57.89 7.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -76.1 -23.55 54.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 36.3 t -88.9 83.14 6.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -103.71 -11.94 17.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.578 ' HB1' ' HB2' ' A' ' 71' ' ' LYS . . . 46.51 56.27 6.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.071 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.587 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -90.92 -67.35 0.12 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.651 0.738 . . . . 0.0 110.894 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.587 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.4 Cg_endo -69.81 -36.63 10.31 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.679 2.252 . . . . 0.0 112.323 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 133.02 35.16 0.31 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.476 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.582 HD23 ' HG2' ' A' ' 67' ' ' PRO . 0.6 OUTLIER -91.46 -30.95 16.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.794 0.33 . . . . 0.0 110.965 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.434 ' HB2' ' HB2' ' A' ' 65' ' ' ALA . 12.3 mmt -117.88 -21.07 8.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.578 ' HB2' ' HB1' ' A' ' 65' ' ' ALA . 11.0 tttt -77.07 -21.58 54.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -117.39 41.27 2.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.481 HG23 ' HB2' ' A' ' 33' ' ' SER . 0.8 OUTLIER -129.83 -32.18 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.11 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.48 ' HB2' ' O ' ' A' ' 3' ' ' ASP . . . -84.97 3.66 37.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -119.61 -25.0 6.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 98.3 t -61.56 -44.21 98.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.109 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 23.4 p90 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.847 -179.98 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 87.9 m-20 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.822 0.344 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -124.11 -31.73 3.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -58.73 -33.9 70.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.506 ' HB3' ' HB1' ' A' ' 74' ' ' ALA . 7.2 tpm_? -69.08 -21.56 64.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.3 mt -92.59 -51.5 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.085 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -53.53 -56.69 14.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.12 -32.85 64.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.917 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.26 -44.47 79.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.873 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -79.36 -21.36 45.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -83.48 57.13 3.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.836 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.1 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 -179.906 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -69.67 176.3 3.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.755 0.312 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.7 HD12 HD12 ' A' ' 24' ' ' LEU . 15.7 pt -127.06 147.08 32.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.067 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 t -58.47 112.48 1.6 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.854 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.563 ' CD2' ' C ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -69.71 -67.64 0.47 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 84.4 p -48.02 -21.51 0.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -92.32 -29.83 16.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.936 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.7 HD12 HD12 ' A' ' 19' ' ' ILE . 10.5 tt -70.69 -54.07 13.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.951 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.614 ' HA ' HD12 ' A' ' 28' ' ' LEU . 7.7 t -53.03 -26.52 15.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.147 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -96.96 -20.76 17.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.29 18.13 10.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.614 HD12 ' HA ' ' A' ' 25' ' ' THR . 2.1 mt -98.9 -55.65 2.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 18.0 ptt-85 -53.68 -35.36 60.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.413 HG23 ' N ' ' A' ' 31' ' ' LEU . 6.7 t -56.83 -42.58 79.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.086 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.413 ' N ' HG23 ' A' ' 30' ' ' THR . 12.2 mt -69.13 -22.65 63.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.897 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 122.53 47.74 0.27 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.518 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.6 m -109.19 169.57 8.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.958 0.409 . . . . 0.0 110.821 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.9 5.73 4.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.127 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 88.9 p -125.08 37.1 4.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.841 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.23 -37.8 28.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.112 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -86.57 -0.7 56.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -85.78 -52.26 5.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.44 HG22 ' HB2' ' A' ' 43' ' ' MET . 4.2 p -81.76 -15.76 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.156 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -24.62 9.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.13 16.42 8.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 46.6 mtp -131.63 4.35 4.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.479 ' HG2' HD11 ' A' ' 21' ' ' LEU . 10.8 tpp -77.16 -26.28 52.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.59 9.45 21.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -131.45 18.01 4.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.682 HD12 ' OD2' ' A' ' 47' ' ' ASP . 1.0 OUTLIER -128.58 -36.53 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.157 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.682 ' OD2' HD12 ' A' ' 46' ' ' ILE . 41.6 m-20 -154.76 -67.73 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.555 HG21 HD12 ' A' ' 21' ' ' LEU . 20.9 m -47.33 119.35 2.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -70.51 -27.51 64.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.798 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 150.46 -16.08 0.98 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.511 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -50.57 -41.7 54.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.842 0.353 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 103.25 23.4 8.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.497 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -149.77 173.05 14.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.856 0.36 . . . . 0.0 110.859 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.644 HD12 ' HB2' ' A' ' 59' ' ' PHE . 4.9 pt -153.19 133.28 3.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -72.14 -65.73 0.74 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -162.22 -53.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -57.36 -45.71 84.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -62.92 -16.7 60.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.644 ' HB2' HD12 ' A' ' 54' ' ' ILE . 13.9 t80 -92.16 -35.25 13.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 36.8 mm -74.64 -35.79 38.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.121 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -49.58 -61.13 2.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.805 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.652 ' CB ' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -69.1 -13.85 62.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.91 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 36.3 t -80.75 56.9 2.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 37.7 m-20 -52.94 -38.95 62.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 48.16 32.5 3.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.566 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -82.16 -66.55 0.22 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.606 0.717 . . . . 0.0 110.902 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.566 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.8 Cg_endo -69.7 -10.03 27.59 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.681 2.254 . . . . 0.0 112.382 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 97.74 38.54 4.13 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.498 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.563 HD23 ' HG2' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -89.4 -29.21 19.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.819 0.342 . . . . 0.0 110.911 -179.911 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.465 ' HG2' ' HG ' ' A' ' 69' ' ' LEU . 56.6 mmm -111.28 -22.34 11.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 35.8 tttt -80.52 -31.78 37.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.425 ' O ' HG23 ' A' ' 76' ' ' VAL . 4.3 t70 -100.93 26.85 6.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.823 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -123.55 -28.21 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.087 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.506 ' HB1' ' HB3' ' A' ' 6' ' ' ARG . . . -81.79 -10.98 59.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -104.19 -23.8 13.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 72' ' ' ASP . 54.8 t -51.8 -67.92 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 11.8 t80 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.981 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 77.9 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.782 0.325 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -125.76 -30.47 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -57.11 -32.45 66.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.0 tpp85 -72.28 -24.27 61.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.86 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.2 mt -89.23 -49.57 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -52.31 -58.46 6.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -55.87 -31.62 62.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.58 -31.35 70.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.442 ' C ' HG22 ' A' ' 19' ' ' ILE . 37.4 m-85 -99.67 0.84 42.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -110.56 38.0 2.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.7 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 -179.875 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -92.2 168.49 11.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 0.0 110.829 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.576 HD12 HD12 ' A' ' 24' ' ' LEU . 27.8 pt -127.25 133.15 68.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.513 ' HG ' ' HE2' ' A' ' 53' ' ' PHE . 0.9 OUTLIER -67.96 97.86 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.813 -179.892 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.432 HD21 ' N ' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -49.07 -44.15 41.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.937 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.3 t -48.63 -30.36 5.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 -90.51 -30.11 17.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.576 HD12 HD12 ' A' ' 19' ' ' ILE . 10.4 tt -71.63 -54.84 9.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.67 ' HA ' HD12 ' A' ' 28' ' ' LEU . 12.8 t -52.99 -27.78 20.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -93.61 -22.75 18.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.62 20.67 7.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.115 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.67 HD12 ' HA ' ' A' ' 25' ' ' THR . 2.5 mt -101.2 -49.5 4.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.28 -44.72 68.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.82 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.2 t -62.98 -16.22 58.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.649 HD22 ' HA ' ' A' ' 77' ' ' PHE . 26.9 mt -109.0 25.69 11.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 59.62 74.89 0.31 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.466 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.2 m -116.56 175.2 5.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.96 0.409 . . . . 0.0 110.848 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.6 p -49.44 -67.98 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.168 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.537 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 2.9 m -147.1 -43.53 0.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.582 ' HB1' ' O ' ' A' ' 25' ' ' THR . . . 73.36 -0.71 3.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.056 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -108.45 -5.89 16.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -85.03 -56.49 3.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.412 ' O ' HG22 ' A' ' 39' ' ' VAL . 3.6 p -76.9 -16.93 14.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.184 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.9 -28.09 8.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.72 16.14 11.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 8.8 mtt -138.15 17.36 2.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.559 ' SD ' HD11 ' A' ' 46' ' ' ILE . 14.5 tpt -81.09 -22.31 39.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.59 -4.96 52.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -109.11 12.52 25.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.559 HD11 ' SD ' ' A' ' 43' ' ' MET . 1.1 pt -117.93 -18.86 6.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -179.35 -62.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.6 m -49.42 120.12 3.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.101 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -62.38 -33.53 74.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 149.6 -14.77 1.07 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.454 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -49.49 -35.3 19.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.807 0.337 . . . . 0.0 110.829 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.84 22.12 11.37 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.459 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.513 ' HE2' ' HG ' ' A' ' 20' ' ' SER . 83.3 m-85 -146.78 170.84 16.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.859 0.362 . . . . 0.0 110.887 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.627 HD12 ' HB2' ' A' ' 59' ' ' PHE . 3.3 pt -154.48 129.7 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -63.61 -73.41 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -156.69 -54.11 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -54.76 -48.51 72.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.409 ' CB ' HG22 ' A' ' 54' ' ' ILE . 1.4 mt-10 -63.11 -25.51 68.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.627 ' HB2' HD12 ' A' ' 54' ' ' ILE . 6.5 t80 -79.59 -36.19 38.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 35.4 mm -78.73 -23.42 13.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.13 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 83.9 p -51.04 -51.28 54.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.452 ' HB3' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -93.1 -23.9 18.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 48.9 t -90.45 63.35 5.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -90.0 -13.28 36.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.746 ' HB2' ' HB2' ' A' ' 70' ' ' MET . . . 45.74 52.32 9.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.098 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.574 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -79.08 -66.66 0.27 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.652 0.739 . . . . 0.0 110.903 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.574 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.3 Cg_endo -69.73 -10.27 28.16 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.725 2.284 . . . . 0.0 112.318 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.89 37.62 3.86 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.533 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.682 HD12 ' CE ' ' A' ' 70' ' ' MET . 0.6 OUTLIER -89.31 -32.46 17.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.79 0.329 . . . . 0.0 110.886 -179.905 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.746 ' HB2' ' HB2' ' A' ' 65' ' ' ALA . 8.1 mmt -109.2 -21.3 12.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.504 ' HB3' ' HB1' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -75.62 -28.41 58.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.909 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -104.69 25.22 10.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -124.04 -30.31 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.401 ' HB2' ' O ' ' A' ' 3' ' ' ASP . . . -54.91 -30.49 58.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.8 -13.65 31.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.459 HG12 ' N ' ' A' ' 77' ' ' PHE . 5.9 t -88.05 160.99 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.08 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.649 ' HA ' HD22 ' A' ' 31' ' ' LEU . 36.7 m-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 27.6 m-20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.769 0.318 . . . . 0.0 110.825 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -121.52 -28.23 4.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -69.3 -15.41 63.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.9 tpp85 -88.67 -17.24 30.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.554 HG22 ' CE2' ' A' ' 11' ' ' PHE . 0.9 OUTLIER -105.85 -39.83 5.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -53.53 -64.16 0.91 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp -55.73 -35.49 66.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -56.83 -48.75 77.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.554 ' CE2' HG22 ' A' ' 7' ' ' ILE . 39.7 m-85 -78.99 -23.25 44.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -81.02 57.5 3.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.4 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 -179.915 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 mtmm -135.79 174.99 10.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.773 0.32 . . . . 0.0 110.876 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.668 HD12 HD12 ' A' ' 24' ' ' LEU . 25.9 pt -127.15 138.15 55.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.414 ' CB ' ' HB2' ' A' ' 23' ' ' GLU . 45.9 m -52.7 113.96 1.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.549 ' CD2' ' C ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -67.51 -66.45 0.56 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.0 t -47.87 -21.13 0.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.414 ' HB2' ' CB ' ' A' ' 20' ' ' SER . 29.0 mm-40 -89.71 -30.73 17.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.668 HD12 HD12 ' A' ' 19' ' ' ILE . 10.4 tt -70.0 -54.46 13.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.591 ' HA ' HD12 ' A' ' 28' ' ' LEU . 15.4 t -53.06 -25.6 13.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.113 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -97.53 -20.71 17.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.17 17.7 10.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.591 HD12 ' HA ' ' A' ' 25' ' ' THR . 2.2 mt -99.32 -55.99 2.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.952 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.492 ' CD ' ' HB3' ' A' ' 36' ' ' ALA . 1.6 mtp85 -52.72 -34.41 52.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.412 HG23 ' N ' ' A' ' 31' ' ' LEU . 6.6 t -58.45 -42.38 87.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.412 ' N ' HG23 ' A' ' 30' ' ' THR . 11.9 mt -69.08 -22.36 64.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.972 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 115.03 55.84 0.37 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.521 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.4 p -113.99 178.73 4.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.936 0.398 . . . . 0.0 110.85 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.75 9.99 2.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.174 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.1 t -131.78 45.78 2.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.492 ' HB3' ' CD ' ' A' ' 29' ' ' ARG . . . -92.54 -37.52 12.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.102 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.6 -1.45 57.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -85.87 -52.35 5.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.424 HG22 ' HB2' ' A' ' 43' ' ' MET . 3.1 p -80.7 -16.55 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.576 ' HG2' HG21 ' A' ' 25' ' ' THR . 0.0 OUTLIER -51.59 -26.74 9.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.33 15.37 10.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 7.5 mmm -130.5 3.42 4.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.424 ' HB2' HG22 ' A' ' 39' ' ' VAL . 26.7 tpp -75.83 -25.77 56.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.44 11.68 18.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.05 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -133.19 17.75 4.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.697 HD12 ' OD2' ' A' ' 47' ' ' ASP . 0.9 OUTLIER -126.79 -35.96 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.146 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.697 ' OD2' HD12 ' A' ' 46' ' ' ILE . 31.0 m-20 -155.18 -65.13 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.75 117.09 2.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -73.5 -19.69 60.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 142.71 -10.42 2.38 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.464 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -48.27 -34.87 11.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.904 0.383 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 101.28 -3.06 54.48 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.492 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -137.35 175.82 9.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.818 0.342 . . . . 0.0 110.877 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.658 HD12 ' HB2' ' A' ' 59' ' ' PHE . 6.8 pt -147.31 134.08 13.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -72.93 -64.39 0.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -166.02 -52.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -54.55 -43.11 71.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -70.03 -15.86 63.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.658 ' HB2' HD12 ' A' ' 54' ' ' ILE . 7.2 t80 -91.18 -34.97 14.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 36.8 mm -78.68 -34.34 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 t -50.49 -60.22 3.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.648 ' CB ' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -68.13 -13.57 62.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.843 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 23.9 t -81.28 56.16 2.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 55.4 m-20 -54.15 -38.76 65.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 51.11 30.81 5.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.552 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -81.88 -65.85 0.24 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.602 0.715 . . . . 0.0 110.883 -179.915 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.552 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.8 Cg_endo -69.74 -9.79 26.98 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.736 2.29 . . . . 0.0 112.322 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 97.52 33.72 5.8 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.448 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.551 HD23 ' HG2' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -84.54 -28.3 26.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.791 0.329 . . . . 0.0 110.861 -179.922 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.418 ' HG2' ' HG ' ' A' ' 69' ' ' LEU . 10.8 mmt -110.47 -21.96 11.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -81.55 -31.51 32.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -99.78 30.35 3.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.867 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -129.85 -28.26 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.431 ' HB2' HD11 ' A' ' 7' ' ' ILE . . . -86.75 1.37 52.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.058 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.17 -11.8 8.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 72.9 t -64.94 -74.46 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 3.2 t80 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.821 0.343 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.98 -30.53 3.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -53.79 -49.39 68.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.2 tpp180 -52.02 -26.0 9.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.882 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.592 HG22 ' CE2' ' A' ' 11' ' ' PHE . 0.8 OUTLIER -91.72 -48.37 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -50.76 -41.06 56.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -67.37 -32.16 72.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.933 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.17 -42.88 75.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.592 ' CE2' HG22 ' A' ' 7' ' ' ILE . 40.9 m-85 -78.68 -27.46 45.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.429 ' HA ' HG22 ' A' ' 19' ' ' ILE . 36.1 t0 -89.66 53.14 2.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.3 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.16 -179.912 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.0 mttm -68.7 -172.73 0.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.743 0.306 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.429 HG22 ' HA ' ' A' ' 12' ' ' ASP . 34.1 pt -146.01 148.98 16.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.123 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.7 m -65.42 83.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.713 ' O ' HD22 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -54.06 -44.69 71.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.499 ' N ' HD13 ' A' ' 21' ' ' LEU . 62.0 p -56.49 -11.55 1.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -105.59 -13.23 15.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.507 ' CD2' HD11 ' A' ' 28' ' ' LEU . 10.5 tt -71.8 -52.16 18.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.722 ' OG1' HG13 ' A' ' 39' ' ' VAL . 11.9 t -55.15 -25.11 30.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -97.95 -20.88 17.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -92.83 15.96 13.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.077 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.6 HD12 ' HA ' ' A' ' 25' ' ' THR . 2.0 mt -96.79 -55.33 2.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.7 ttp85 -55.13 -35.32 64.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.83 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.0 t -64.14 -15.58 60.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 24.1 mt -104.75 15.74 27.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.0 52.85 3.32 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.461 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.5 m -118.42 156.47 28.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.917 0.389 . . . . 0.0 110.883 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.73 3.55 10.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.3 t -126.45 53.17 1.67 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.818 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.07 -36.78 12.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.077 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.423 ' HA ' ' HB2' ' A' ' 40' ' ' GLN . 69.0 m-20 -70.96 -30.62 66.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -55.7 -55.01 37.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.722 HG13 ' OG1' ' A' ' 25' ' ' THR . 6.2 p -75.82 -23.18 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.423 ' HB2' ' HA ' ' A' ' 37' ' ' ASP . 0.1 OUTLIER -53.89 -23.97 14.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -121.94 15.74 10.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.646 ' O ' HG23 ' A' ' 46' ' ' ILE . 13.7 mtt -144.84 19.5 1.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.703 ' HB2' HD11 ' A' ' 21' ' ' LEU . 4.5 ptt? -76.67 -26.93 55.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -97.69 5.75 48.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.085 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -119.36 -10.57 9.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.937 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.646 HG23 ' O ' ' A' ' 42' ' ' MET . 1.3 pt -79.35 -26.39 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.14 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.0 -45.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 89.6 m -50.54 118.64 3.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -51.95 -75.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -172.56 42.39 0.17 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.512 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -113.42 -38.0 4.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.804 0.335 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.03 23.03 9.45 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.499 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -145.17 173.22 12.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.818 0.342 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.692 HD12 ' HB2' ' A' ' 59' ' ' PHE . 5.7 pt -152.95 164.51 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.155 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -101.66 -66.69 0.9 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -162.55 -49.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -56.71 -54.34 47.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -62.37 -21.82 65.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.692 ' HB2' HD12 ' A' ' 54' ' ' ILE . 6.7 t80 -79.35 -36.54 39.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.412 ' HA ' ' HB2' ' A' ' 63' ' ' CYS . 46.9 mm -79.6 -19.63 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.37 -46.27 80.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -94.94 -20.16 19.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.412 ' HB2' ' HA ' ' A' ' 60' ' ' ILE . 55.9 m -88.33 50.47 1.98 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -82.7 -11.71 58.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.813 ' HB2' ' HB2' ' A' ' 70' ' ' MET . . . 50.03 62.72 2.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.565 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -83.97 -66.52 0.21 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.61 0.719 . . . . 0.0 110.88 -179.91 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.64 ' HG2' HD23 ' A' ' 69' ' ' LEU . 53.6 Cg_endo -69.75 -36.75 10.24 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.691 2.261 . . . . 0.0 112.354 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 132.52 36.38 0.29 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.474 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.64 HD23 ' HG2' ' A' ' 67' ' ' PRO . 0.6 OUTLIER -86.96 -31.84 20.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.801 0.334 . . . . 0.0 110.918 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.813 ' HB2' ' HB2' ' A' ' 65' ' ' ALA . 48.4 mmm -108.06 -21.66 12.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -77.72 -26.35 49.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -116.3 40.54 2.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -137.58 -31.97 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.6 -20.96 23.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.079 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.16 -9.28 16.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.474 HG12 ' N ' ' A' ' 77' ' ' PHE . 12.6 t -88.7 160.52 2.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.474 ' N ' HG12 ' A' ' 76' ' ' VAL . 56.6 t80 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.761 0.315 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -165.61 145.65 6.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.511 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 74.2 m-20 -97.49 -50.51 4.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -119.78 -30.04 4.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -57.38 -31.68 66.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.581 ' HB3' ' HB1' ' A' ' 74' ' ' ALA . 20.0 tpp180 -69.8 -17.69 63.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.538 HG22 ' CE2' ' A' ' 11' ' ' PHE . 1.0 OUTLIER -103.45 -40.11 6.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.182 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -54.23 -63.22 1.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -55.66 -26.7 45.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -67.62 -48.52 66.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.538 ' CE2' HG22 ' A' ' 7' ' ' ILE . 42.5 m-85 -78.94 -22.78 45.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.912 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -81.72 57.18 3.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.7 p -123.36 18.11 9.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 -76.95 -61.47 1.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 156.96 -26.92 0.51 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -83.87 -64.99 1.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.816 0.341 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 153.89 -21.41 0.69 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.482 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 48.1 mttt -91.54 168.44 11.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.83 0.348 . . . . 0.0 110.855 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.546 HD12 HD12 ' A' ' 24' ' ' LEU . 26.4 pt -124.41 133.68 68.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.179 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.509 ' HG ' ' HE2' ' A' ' 53' ' ' PHE . 0.7 OUTLIER -67.67 99.77 0.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.825 -179.858 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.446 HD11 HG21 ' A' ' 48' ' ' THR . 0.0 OUTLIER -49.09 -46.02 44.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 88.6 p -49.63 -30.27 8.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -87.91 -31.71 19.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.546 HD12 HD12 ' A' ' 19' ' ' ILE . 10.4 tt -71.75 -54.32 10.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.626 ' HA ' HD12 ' A' ' 28' ' ' LEU . 10.2 t -54.05 -25.3 20.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -97.91 -18.75 18.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.825 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.52 18.79 13.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.102 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.626 HD12 ' HA ' ' A' ' 25' ' ' THR . 1.8 mt -98.56 -59.91 1.65 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.463 ' NH1' ' HB3' ' A' ' 36' ' ' ALA . 4.1 mtm-85 -55.24 -34.67 64.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.8 t -62.47 -16.53 55.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.162 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.2 mt -95.45 -20.02 19.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 130.97 1.88 4.85 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.543 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 p -59.91 -169.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.929 0.395 . . . . 0.0 110.882 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.58 -50.6 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.158 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 p -87.55 53.69 2.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.463 ' HB3' ' NH1' ' A' ' 29' ' ' ARG . . . -79.64 -34.59 40.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.082 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.413 ' HA ' ' HB2' ' A' ' 40' ' ' GLN . 31.2 t70 -71.35 -22.54 61.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -55.39 -30.6 60.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.4 p -112.48 -22.26 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.413 ' HB2' ' HA ' ' A' ' 37' ' ' ASP . 0.5 OUTLIER -54.62 -23.84 18.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.924 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.67 6.02 11.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.53 ' O ' HG23 ' A' ' 46' ' ' ILE . 6.8 mtm -137.86 28.02 2.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.2 ptt? -83.52 -12.43 56.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.915 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -107.2 3.19 25.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -118.99 -8.74 10.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.53 HG23 ' O ' ' A' ' 42' ' ' MET . 1.3 pt -81.95 -28.31 9.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 178.93 -47.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.446 HG21 HD11 ' A' ' 21' ' ' LEU . 92.1 m -48.7 124.16 7.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.186 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -63.51 -37.39 87.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 155.83 -18.91 0.49 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.526 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -49.55 -45.29 47.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.856 0.36 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.96 22.44 6.59 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.492 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.509 ' HE2' ' HG ' ' A' ' 20' ' ' SER . 81.1 m-85 -145.0 170.88 15.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.834 0.349 . . . . 0.0 110.87 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.646 HD12 ' HA ' ' A' ' 59' ' ' PHE . 4.4 pt -154.57 134.85 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.132 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -71.54 -71.72 0.25 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -157.54 -52.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.71 -45.7 74.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -72.67 -22.82 60.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.646 ' HA ' HD12 ' A' ' 54' ' ' ILE . 10.0 t80 -77.21 -36.2 55.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 27.7 mm -78.85 -24.07 13.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.2 m -60.16 -24.28 64.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -102.19 -18.76 15.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 89.3 m -84.64 53.85 2.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -52.91 -39.22 62.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.502 ' HB2' ' HB2' ' A' ' 70' ' ' MET . . . 54.76 27.95 9.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.08 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.529 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -78.87 -64.59 0.35 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.606 0.717 . . . . 0.0 110.897 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.529 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.5 Cg_endo -69.76 -10.45 28.58 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.695 2.263 . . . . 0.0 112.359 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 101.62 26.23 7.74 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.469 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.519 HD23 ' HG2' ' A' ' 67' ' ' PRO . 0.6 OUTLIER -77.93 -25.85 48.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.788 0.328 . . . . 0.0 110.956 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.502 ' HB2' ' HB2' ' A' ' 65' ' ' ALA . 21.2 mmt -117.67 -22.23 8.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -76.15 -18.45 59.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -131.01 41.64 3.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.892 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -131.98 -29.28 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.581 ' HB1' ' HB3' ' A' ' 6' ' ' ARG . . . -80.05 -5.03 55.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.109 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.23 -14.7 10.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.5 t -51.42 -73.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 14.1 t80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.971 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.795 0.331 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -129.09 175.43 8.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -123.07 -34.98 3.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -121.48 -27.23 4.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.2 mp0 -68.94 -30.57 69.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.494 ' HB3' ' HB1' ' A' ' 74' ' ' ALA . 12.8 tpt180 -69.25 -22.09 63.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.562 HG22 ' CE2' ' A' ' 11' ' ' PHE . 1.1 mt -96.53 -48.74 12.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.164 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -50.87 -57.97 7.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -56.39 -31.82 64.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -31.32 71.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.562 ' CE2' HG22 ' A' ' 7' ' ' ILE . 33.4 m-85 -99.67 1.33 43.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -113.07 58.4 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.828 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.1 p -92.73 34.87 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.138 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -109.44 -35.4 6.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 139.84 50.36 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.7 t0 60.26 68.68 0.75 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.826 0.346 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -134.58 -94.74 0.5 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.475 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -138.7 168.67 19.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.757 0.313 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.425 HG12 HG13 ' A' ' 54' ' ' ILE . 23.9 pt -127.21 135.11 64.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.56 100.01 0.83 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.521 HD13 ' HG2' ' A' ' 43' ' ' MET . 0.0 OUTLIER -49.28 -47.09 47.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.6 t -50.03 -30.36 10.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -84.41 -31.89 24.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.946 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.524 ' CD2' HD11 ' A' ' 28' ' ' LEU . 10.4 tt -72.32 -54.83 8.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.654 ' HA ' HD12 ' A' ' 28' ' ' LEU . 9.5 t -53.39 -26.69 20.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -95.86 -20.28 18.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.18 21.89 8.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.064 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.654 HD12 ' HA ' ' A' ' 25' ' ' THR . 1.9 mt -101.46 -55.65 2.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.925 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -55.45 -30.82 61.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.411 HG23 ' N ' ' A' ' 31' ' ' LEU . 7.7 t -64.15 -41.65 97.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.411 ' N ' HG23 ' A' ' 30' ' ' THR . 13.3 mt -67.38 -22.53 65.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.508 ' HA3' HG11 ' A' ' 76' ' ' VAL . . . 151.21 -27.09 0.99 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.46 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.31 169.87 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.963 0.411 . . . . 0.0 110.843 -179.73 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.75 -51.11 0.79 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.122 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.2 t -88.68 50.32 1.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.82 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.55 -20.19 64.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.149 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.413 ' HA ' ' CB ' ' A' ' 40' ' ' GLN . 8.1 t70 -72.05 -8.24 53.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.866 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -52.76 -29.7 28.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.0 p -124.97 -19.18 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.134 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.413 ' CB ' ' HA ' ' A' ' 37' ' ' ASP . 4.5 tm0? -53.69 -24.06 13.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -104.89 -8.98 18.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.4 mtt -138.48 49.38 1.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.521 ' HG2' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -98.43 -23.78 15.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -97.58 -2.09 42.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.08 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -111.41 16.6 20.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -116.86 -22.79 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.119 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 179.71 -53.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.497 HG21 HD11 ' A' ' 21' ' ' LEU . 21.8 m -48.93 114.34 0.97 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.86 -52.39 60.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 168.09 -23.33 0.11 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.486 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -46.05 -35.44 4.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.835 0.35 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 101.41 23.01 9.85 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.457 ' N ' HD21 ' A' ' 21' ' ' LEU . 84.3 m-85 -143.53 171.58 13.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.803 0.335 . . . . 0.0 110.903 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.622 HD12 ' HB2' ' A' ' 59' ' ' PHE . 3.1 pt -153.66 132.53 3.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.161 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -65.34 -73.86 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -156.74 -52.92 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.855 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -54.74 -49.68 70.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -62.56 -24.71 67.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.622 ' HB2' HD12 ' A' ' 54' ' ' ILE . 23.2 t80 -81.7 -35.56 29.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 47.1 mm -81.04 -26.68 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.155 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.5 t -51.57 -53.94 32.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -77.91 -11.93 59.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 27.9 t -80.23 57.21 2.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -52.37 -39.84 61.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 48.5 33.63 4.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.073 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.553 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 1.8 m-80 -86.14 -65.46 0.2 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.617 0.722 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.556 ' HG2' HD23 ' A' ' 69' ' ' LEU . 53.4 Cg_endo -69.75 -36.16 11.35 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.697 2.265 . . . . 0.0 112.306 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 132.06 29.37 0.56 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.516 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.556 HD23 ' HG2' ' A' ' 67' ' ' PRO . 0.5 OUTLIER -80.1 -29.1 38.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.788 0.328 . . . . 0.0 110.929 -179.922 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 8.1 mmt -116.66 -21.53 9.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 52.4 tttt -79.11 -18.76 52.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -125.75 44.92 2.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -136.59 -30.84 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.494 ' HB1' ' HB3' ' A' ' 6' ' ' ARG . . . -85.28 -1.69 57.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.87 -15.79 8.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.508 HG11 ' HA3' ' A' ' 32' ' ' GLY . 75.1 t -51.54 -73.58 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.152 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 22.8 t80 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 179.975 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.751 0.31 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -54.7 -75.03 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.854 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.404 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 0.2 OUTLIER 69.6 8.72 6.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.01 -20.25 5.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -76.01 -29.55 58.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.451 ' HB3' ' HB1' ' A' ' 74' ' ' ALA . 21.8 tpp180 -69.66 -23.42 63.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.582 HG22 ' CE2' ' A' ' 11' ' ' PHE . 1.2 mt -92.16 -48.4 13.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -50.78 -52.18 43.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -56.3 -27.29 55.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.64 -46.85 35.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.582 ' CE2' HG22 ' A' ' 7' ' ' ILE . 43.3 m-85 -72.81 -29.37 63.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -81.06 57.79 3.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.7 p -99.44 2.92 45.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.113 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -77.62 -67.03 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 140.03 -29.32 2.44 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.501 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -61.49 -45.1 95.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.88 0.371 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 120.14 21.21 3.49 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.446 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.0 mttp -135.31 148.87 49.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.734 0.302 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.542 HD12 HD12 ' A' ' 24' ' ' LEU . 24.0 pt -118.42 133.27 65.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.18 102.44 1.04 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.664 ' O ' HG22 ' A' ' 25' ' ' THR . 0.0 OUTLIER -49.1 -44.13 41.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 t -49.11 -29.77 5.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -88.71 -31.43 18.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.55 HD11 ' HE1' ' A' ' 59' ' ' PHE . 10.2 tt -74.5 -56.5 4.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.69 ' HA ' HD12 ' A' ' 28' ' ' LEU . 6.4 t -52.44 -28.34 19.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.165 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -90.72 -23.74 20.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.87 25.74 3.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.109 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.69 HD12 ' HA ' ' A' ' 25' ' ' THR . 3.0 mt -107.23 -48.52 3.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -16.53 60.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.436 HG23 ' N ' ' A' ' 31' ' ' LEU . 9.9 t -80.18 -42.29 23.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.436 ' N ' HG23 ' A' ' 30' ' ' THR . 14.1 mt -69.96 -22.84 63.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 127.72 33.97 0.58 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.512 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 72.9 m -83.03 -174.17 5.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.934 0.397 . . . . 0.0 110.869 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.36 -49.04 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.131 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.07 16.7 5.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.84 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.31 -36.82 44.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.134 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.475 ' HA ' ' HB2' ' A' ' 40' ' ' GLN . 11.5 t70 -76.15 -28.01 57.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -54.37 -30.2 51.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.487 HG11 ' HE2' ' A' ' 62' ' ' PHE . 4.6 p -109.55 -21.76 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.15 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.475 ' HB2' ' HA ' ' A' ' 37' ' ' ASP . 1.2 tm0? -53.5 -24.49 13.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.58 15.87 13.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 8.6 mtm -150.61 30.04 0.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.63 ' HG2' HD13 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -89.11 -20.59 24.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -95.95 9.89 39.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.91 17.16 6.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.557 HD13 ' HB2' ' A' ' 62' ' ' PHE . 1.1 pt -115.24 -23.87 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.154 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.68 -45.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.61 HG21 HD11 ' A' ' 21' ' ' LEU . 30.2 m -50.5 112.72 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -119.7 -15.72 8.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -65.72 -114.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.515 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -122.56 -5.87 8.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.841 0.353 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 138.96 41.76 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.457 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.475 ' N ' HD21 ' A' ' 21' ' ' LEU . 51.6 m-85 -141.23 172.18 13.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 110.848 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.655 HD12 ' HB2' ' A' ' 59' ' ' PHE . 4.6 pt -150.82 124.99 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.171 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -56.79 -72.07 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -162.62 -51.48 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -56.0 -45.48 79.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -62.29 -31.0 71.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.655 ' HB2' HD12 ' A' ' 54' ' ' ILE . 33.6 t80 -71.6 -35.0 70.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 24.9 mm -79.29 -28.48 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.109 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.6 t -59.75 -55.33 35.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.827 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.557 ' HB2' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -69.97 -12.19 61.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.877 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 1.7 m -81.36 57.08 3.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -51.05 -40.95 59.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.641 ' HB1' ' HB2' ' A' ' 71' ' ' LYS . . . 47.42 47.73 16.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.569 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.9 OUTLIER -88.46 -66.79 0.15 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.598 0.713 . . . . 0.0 110.89 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.569 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.9 Cg_endo -69.73 -38.16 8.24 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.659 2.239 . . . . 0.0 112.347 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 136.05 37.8 0.18 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.511 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.592 HD12 ' HE3' ' A' ' 70' ' ' MET . 0.6 OUTLIER -96.35 -27.51 14.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 0.0 110.9 -179.895 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.592 ' HE3' HD12 ' A' ' 69' ' ' LEU . 6.4 mmt -125.25 -2.13 7.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.641 ' HB2' ' HB1' ' A' ' 65' ' ' ALA . 35.8 tttm -98.31 -22.32 16.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.45 ' O ' HG23 ' A' ' 76' ' ' VAL . 0.4 OUTLIER -141.88 52.81 1.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -124.21 -27.57 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.451 ' HB1' ' HB3' ' A' ' 6' ' ' ARG . . . -83.85 -1.19 53.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.96 -9.82 9.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 72' ' ' ASP . 24.7 t -55.04 -63.02 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.505 ' HB1' ' CG ' ' A' ' 6' ' ' ARG . . . . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.785 0.326 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -124.87 -167.03 1.61 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.821 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -50.35 -31.53 14.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -128.79 -32.2 2.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -58.01 -32.05 67.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.879 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.505 ' CG ' ' HB1' ' A' ' 1' ' ' ALA . 38.3 ttt180 -70.75 -24.28 62.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.477 HG22 ' CE2' ' A' ' 11' ' ' PHE . 1.7 mt -91.06 -49.25 13.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.165 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -52.98 -41.12 64.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.9 mmtt -67.96 -29.3 68.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -72.57 -43.51 63.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.942 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.477 ' CE2' HG22 ' A' ' 7' ' ' ILE . 42.0 m-85 -79.02 -22.02 46.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -95.41 20.87 8.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.5 p -56.26 -35.32 67.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.127 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -51.65 -33.66 34.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.43 -16.31 60.02 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.529 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -52.13 -29.48 22.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.858 0.361 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 112.96 -48.47 0.93 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.477 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.0 mttm -91.04 168.1 11.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.75 0.31 . . . . 0.0 110.937 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.62 HD12 HD12 ' A' ' 24' ' ' LEU . 28.6 pt -127.13 133.43 68.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.1 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.81 95.88 0.54 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.478 HD21 ' N ' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -45.51 -44.42 12.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.902 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.4 t -47.1 -44.05 20.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -77.78 -27.97 50.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.62 HD12 HD12 ' A' ' 19' ' ' ILE . 10.3 tt -70.79 -55.32 8.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.675 ' OG1' HG13 ' A' ' 39' ' ' VAL . 7.1 t -54.04 -25.6 22.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -96.57 -18.67 19.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.825 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -100.31 24.79 8.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.671 HD12 ' HA ' ' A' ' 25' ' ' THR . 3.2 mt -102.76 -51.71 3.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.46 -35.28 12.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.408 HG23 ' N ' ' A' ' 31' ' ' LEU . 7.1 t -65.41 -41.68 93.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.408 ' N ' HG23 ' A' ' 30' ' ' THR . 15.7 mt -67.86 -21.79 65.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 124.24 -29.2 5.13 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.53 157.94 0.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.935 0.397 . . . . 0.0 110.859 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -115.68 4.36 14.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.145 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.7 p -97.95 46.47 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.87 -55.65 3.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.088 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -76.66 -3.14 36.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -86.53 -21.99 26.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.675 HG13 ' OG1' ' A' ' 25' ' ' THR . 3.8 p -116.7 -20.84 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -54.05 -24.73 18.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.37 5.63 13.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.5 mtt -141.24 34.44 1.7 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.9 ptt? -88.09 -19.24 27.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -101.43 5.75 42.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.125 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -127.08 22.72 6.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.1 pt -115.53 -26.25 2.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 179.66 -54.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.446 HG21 ' HA2' ' A' ' 52' ' ' GLY . 13.6 m -50.18 126.45 14.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -119.8 -16.94 8.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -76.3 -128.5 0.29 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.48 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -84.87 -41.65 15.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.851 0.358 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.446 ' HA2' HG21 ' A' ' 48' ' ' THR . . . 156.89 56.53 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.462 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.478 ' N ' HD21 ' A' ' 21' ' ' LEU . 51.0 m-85 -141.63 170.71 15.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.793 0.33 . . . . 0.0 110.903 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.619 HD12 ' HB2' ' A' ' 59' ' ' PHE . 4.8 pt -154.12 126.6 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -61.15 -70.22 0.19 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -161.55 -48.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -56.16 -51.67 67.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -62.52 -27.88 69.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.619 ' HB2' HD12 ' A' ' 54' ' ' ILE . 9.5 t80 -72.07 -26.86 62.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 39.2 mm -85.12 -29.38 6.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 39.7 t -51.39 -55.03 20.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.83 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -77.25 -14.13 59.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 18.5 t -83.81 54.78 3.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -53.28 -39.9 64.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 49.68 41.77 22.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.122 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.565 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -85.89 -66.0 0.2 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.647 0.737 . . . . 0.0 110.922 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.565 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.5 Cg_endo -69.84 -36.86 9.82 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.614 2.209 . . . . 0.0 112.359 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 133.11 34.55 0.32 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.446 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.56 HD23 ' HG2' ' A' ' 67' ' ' PRO . 0.5 OUTLIER -82.68 -32.74 27.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.852 0.358 . . . . 0.0 110.933 -179.922 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.449 ' HE3' HD12 ' A' ' 69' ' ' LEU . 5.3 mmt -115.57 -21.7 9.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -82.82 -32.12 27.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -99.9 30.33 3.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.894 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.401 ' HA ' HG23 ' A' ' 76' ' ' VAL . 0.3 OUTLIER -129.27 -32.57 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.06 -29.74 63.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.8 mmmt -90.92 -14.08 32.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.458 HG12 ' H ' ' A' ' 77' ' ' PHE . 2.5 t -88.62 165.49 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.458 ' H ' HG12 ' A' ' 76' ' ' VAL . 14.9 t80 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.816 0.341 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -157.59 165.88 34.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.503 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 11.8 p-10 -120.55 -41.17 2.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -118.64 -26.56 6.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -58.25 -50.2 74.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 33.3 ttt85 -57.57 -24.28 55.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.884 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.406 HG22 ' CE2' ' A' ' 11' ' ' PHE . 2.0 mt -85.4 -51.04 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -51.27 -59.9 3.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -51.9 -30.98 26.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.58 -48.4 60.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.845 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.569 ' C ' HG22 ' A' ' 19' ' ' ILE . 39.4 m-85 -80.12 0.15 33.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -98.01 49.44 1.01 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.2 p -106.97 18.95 21.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.166 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -77.63 -45.34 25.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 122.2 11.57 5.65 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.524 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -122.73 -44.27 2.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.821 0.343 . . . . 0.0 110.856 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 134.17 -15.96 4.46 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.471 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.1 mtmt -91.2 -178.55 5.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.789 0.328 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.569 HG22 ' C ' ' A' ' 11' ' ' PHE . 36.0 pt -145.21 134.64 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.04 104.05 1.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.462 ' O ' HG22 ' A' ' 25' ' ' THR . 0.0 OUTLIER -49.96 -49.26 50.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.92 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.9 t -50.59 -29.98 12.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.801 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -84.12 -31.43 25.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.51 ' CD2' HD11 ' A' ' 28' ' ' LEU . 10.4 tt -75.32 -55.33 5.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.954 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.645 ' HA ' HD12 ' A' ' 28' ' ' LEU . 9.2 t -53.13 -26.11 15.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -95.43 -22.23 17.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.414 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . . . -94.26 21.27 7.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.079 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.645 HD12 ' HA ' ' A' ' 25' ' ' THR . 1.8 mt -101.16 -52.14 3.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 44.7 ttt180 -57.05 -22.15 36.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.3 t -79.49 -15.02 58.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.2 mt -94.99 4.78 53.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.465 ' HA3' HG11 ' A' ' 76' ' ' VAL . . . 105.15 19.92 10.24 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.47 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 m -92.96 161.87 14.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.91 0.386 . . . . 0.0 110.827 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.38 9.19 3.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.103 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.2 m -132.65 36.49 3.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.827 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.562 ' HB1' ' O ' ' A' ' 25' ' ' THR . . . -81.97 -37.46 26.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.086 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.416 ' HA ' ' HB2' ' A' ' 40' ' ' GLN . 19.2 t70 -68.47 -26.55 65.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.823 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -55.3 -52.43 63.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.442 ' O ' HG22 ' A' ' 39' ' ' VAL . 5.9 p -85.72 -13.7 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.416 ' HB2' ' HA ' ' A' ' 37' ' ' ASP . 0.6 OUTLIER -61.67 -15.38 39.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.921 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.43 10.99 14.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.423 ' HG2' ' HA ' ' A' ' 39' ' ' VAL . 0.6 OUTLIER -145.39 15.05 1.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.467 ' O ' HD11 ' A' ' 46' ' ' ILE . 1.3 tpt -80.61 -17.21 52.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.892 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -100.13 10.37 41.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.124 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -137.53 25.94 2.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.698 HD12 ' N ' ' A' ' 47' ' ' ASP . 1.5 pp -121.16 -26.16 2.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.165 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.698 ' N ' HD12 ' A' ' 46' ' ' ILE . 7.4 m-20 -159.82 -61.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.8 m -49.89 136.97 17.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -78.53 -75.33 0.23 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -162.57 57.9 0.29 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.5 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -132.76 -53.44 0.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.852 0.358 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 116.49 22.24 4.48 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.472 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.451 ' N ' HD21 ' A' ' 21' ' ' LEU . 55.2 m-85 -143.11 172.14 13.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 110.864 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.599 HD12 ' HB2' ' A' ' 59' ' ' PHE . 5.0 pt -153.91 132.58 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.122 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -67.48 -70.03 0.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -160.18 -53.34 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -54.21 -43.34 70.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.23 -16.5 62.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.599 ' HB2' HD12 ' A' ' 54' ' ' ILE . 11.7 t80 -89.59 -21.75 22.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 33.1 mm -93.25 -30.8 4.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.168 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.3 t -50.15 -60.49 2.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -72.39 -22.9 61.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 17.2 t -90.01 87.28 6.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -101.01 -12.29 18.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.522 ' HB1' ' HB2' ' A' ' 71' ' ' LYS . . . 44.92 42.19 5.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.088 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.57 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -84.66 -66.94 0.2 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.592 0.711 . . . . 0.0 110.902 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.57 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.6 Cg_endo -69.76 -10.11 27.75 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.689 2.26 . . . . 0.0 112.366 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.03 35.35 4.83 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.607 HD12 ' HE3' ' A' ' 70' ' ' MET . 0.6 OUTLIER -89.45 -28.34 19.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.79 0.328 . . . . 0.0 110.97 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.607 ' HE3' HD12 ' A' ' 69' ' ' LEU . 7.1 mmt -116.66 -21.34 9.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.522 ' HB2' ' HB1' ' A' ' 65' ' ' ALA . 22.7 tptt -80.32 -29.97 38.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -106.53 34.59 3.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -126.95 -29.22 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.169 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.503 ' HB2' ' O ' ' A' ' 3' ' ' ASP . . . -86.92 1.37 52.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.109 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -116.87 -22.32 8.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.465 HG11 ' HA3' ' A' ' 32' ' ' GLY . 80.4 t -60.67 -73.94 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.148 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 7.9 t80 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.979 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.746 0.308 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -61.43 158.13 15.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 84.8 m-20 -121.22 -35.32 3.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.42 -31.72 3.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -57.46 -49.78 75.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.91 -27.36 18.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.475 HG22 ' CE2' ' A' ' 11' ' ' PHE . 1.4 mt -90.53 -37.16 9.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -66.74 -37.34 84.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.3 mtpp -74.24 -22.56 59.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.57 -44.01 25.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.475 ' CE2' HG22 ' A' ' 7' ' ' ILE . 42.2 m-85 -79.21 -22.26 45.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -81.92 57.11 3.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -117.92 16.5 14.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.109 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -77.53 -48.17 17.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 134.51 -23.61 3.6 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.514 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -84.59 -46.0 11.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.875 0.369 . . . . 0.0 110.868 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 132.92 -21.4 4.18 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 41.6 mttt -91.33 166.86 12.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.735 0.302 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.453 HD11 ' CD1' ' A' ' 59' ' ' PHE . 29.9 pt -126.78 135.63 63.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.29 106.1 1.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.754 ' CD1' HG21 ' A' ' 48' ' ' THR . 0.0 OUTLIER -44.49 -50.47 9.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.933 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.6 t -49.24 -45.31 44.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.834 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -64.0 -30.94 71.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.512 ' CD2' HD11 ' A' ' 28' ' ' LEU . 9.9 tt -79.14 -58.37 3.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.73 ' OG1' HG13 ' A' ' 39' ' ' VAL . 11.1 t -54.49 -23.12 14.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -95.74 -18.6 20.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -103.62 28.47 6.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.069 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.713 HD21 ' HE1' ' A' ' 70' ' ' MET . 1.5 mt -105.93 -54.09 2.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.949 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.7 ttt-85 -56.71 -25.22 53.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.1 t -80.01 -15.82 56.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.121 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.3 mt -102.74 17.62 23.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.47 50.95 4.53 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.7 m -117.0 144.09 44.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.012 0.434 . . . . 0.0 110.856 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.86 -50.04 4.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.101 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.17 72.93 9.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -103.54 -53.18 2.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.137 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -61.93 -18.63 60.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -54.87 -29.45 55.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.73 HG13 ' OG1' ' A' ' 25' ' ' THR . 6.6 p -116.2 -23.22 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.131 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.7 tm0? -54.69 -23.01 15.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -117.62 10.14 13.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 11.0 mtt -147.18 31.55 0.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 11.4 ptt? -80.06 -26.18 39.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -91.78 15.15 13.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -138.82 26.46 2.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -118.63 -34.27 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -169.78 -64.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.754 HG21 ' CD1' ' A' ' 21' ' ' LEU . 9.9 t -48.18 164.31 0.05 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -152.13 -38.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -65.05 -146.07 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.447 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -49.15 -37.04 20.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.811 0.339 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 130.95 63.98 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.476 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -139.64 173.44 11.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.775 0.322 . . . . 0.0 110.888 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.702 HD12 ' HA ' ' A' ' 59' ' ' PHE . 6.6 pt -152.05 132.8 4.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.118 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -72.21 -59.28 2.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.413 ' CE1' HD11 ' A' ' 60' ' ' ILE . 13.9 t80 -169.04 -52.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -52.12 -45.27 64.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -73.72 -23.51 59.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.702 ' HA ' HD12 ' A' ' 54' ' ' ILE . 18.3 t80 -75.21 -35.31 61.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.413 HD11 ' CE1' ' A' ' 56' ' ' PHE . 27.2 mm -79.66 -30.45 13.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.1 t -52.22 -58.51 6.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.836 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -73.13 -14.67 61.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 30.4 t -79.93 57.82 2.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -52.85 -40.21 63.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 47.2 36.07 4.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.543 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 1.1 m-80 -84.88 -65.04 0.22 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.653 0.74 . . . . 0.0 110.926 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.543 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.6 Cg_endo -69.73 -37.21 9.55 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.638 2.225 . . . . 0.0 112.359 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 134.11 36.58 0.24 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.501 HD23 ' HG2' ' A' ' 67' ' ' PRO . 0.5 OUTLIER -85.37 -32.73 22.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.751 0.31 . . . . 0.0 110.874 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.713 ' HE1' HD21 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -119.45 -20.82 7.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.84 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -82.96 -31.78 27.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -105.36 34.94 3.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -132.48 -31.25 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.165 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 3' ' ' ASP . . . -57.48 -20.32 30.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.089 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.432 ' H ' ' HG3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -105.28 -9.84 17.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.478 HG12 ' N ' ' A' ' 77' ' ' PHE . 8.9 t -89.12 161.67 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.142 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.478 ' N ' HG12 ' A' ' 76' ' ' VAL . 32.0 p90 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.8 0.333 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -133.34 -175.63 3.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.856 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.453 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 2.3 m-20 -52.14 -33.21 39.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -122.78 -27.51 4.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -68.74 -26.54 65.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -74.01 -22.1 59.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.9 mt -94.24 -52.25 9.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.161 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -52.0 -40.79 61.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -68.84 -30.7 69.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.937 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.3 -43.98 66.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -79.2 -22.08 45.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -78.78 57.55 2.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.8 p -132.22 7.67 4.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -110.69 -65.31 1.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -76.76 -2.21 75.4 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.8 t0 63.99 22.58 13.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.801 0.334 . . . . 0.0 110.86 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -173.22 -60.95 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.478 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.6 mttm -92.28 -173.82 3.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.811 0.339 . . . . 0.0 110.848 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.459 HD12 HD12 ' A' ' 24' ' ' LEU . 46.2 pt -145.71 137.52 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.28 100.46 0.63 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.528 HD21 HG21 ' A' ' 48' ' ' THR . 0.0 OUTLIER -44.54 -54.79 5.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.3 p -49.9 -44.63 50.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -63.87 -31.18 72.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.506 HD23 ' CD1' ' A' ' 28' ' ' LEU . 9.9 tt -78.7 -58.74 3.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.65 ' HA ' HD12 ' A' ' 28' ' ' LEU . 9.4 t -54.33 -22.84 13.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -96.68 -19.66 18.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -100.07 24.34 8.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.65 HD12 ' HA ' ' A' ' 25' ' ' THR . 1.9 mt -103.68 -57.74 1.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.738 ' HD3' ' HB3' ' A' ' 36' ' ' ALA . 0.6 OUTLIER -57.32 -21.9 38.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.4 t -79.57 -15.12 58.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.437 ' O ' HG11 ' A' ' 76' ' ' VAL . 33.7 mt -102.17 11.75 37.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.44 56.5 2.51 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.45 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.7 m -115.91 -169.62 1.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.943 0.402 . . . . 0.0 110.854 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.17 -50.2 0.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 m -87.53 72.14 9.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.738 ' HB3' ' HD3' ' A' ' 29' ' ' ARG . . . -114.65 -52.66 2.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.426 ' HA ' ' HB2' ' A' ' 40' ' ' GLN . 20.3 t0 -70.98 -26.02 62.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -56.55 -29.9 62.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.441 ' O ' HG22 ' A' ' 39' ' ' VAL . 4.8 p -112.87 -14.15 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.069 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.426 ' HB2' ' HA ' ' A' ' 37' ' ' ASP . 1.9 tm0? -61.73 -15.43 40.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.2 ptp85 -120.65 11.3 11.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.406 ' CG ' ' HA ' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -147.9 21.14 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.606 ' SD ' HG21 ' A' ' 25' ' ' THR . 2.1 ptt? -75.2 -22.86 57.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.41 16.47 11.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -138.55 22.51 2.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -116.59 -25.94 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -173.88 -49.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.528 HG21 HD21 ' A' ' 21' ' ' LEU . 2.4 m -54.89 103.32 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.102 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -55.44 -35.91 65.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 151.21 44.48 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.465 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -111.93 -10.53 13.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.807 0.337 . . . . 0.0 110.848 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 75.33 0.53 62.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.471 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.418 ' N ' HD21 ' A' ' 21' ' ' LEU . 70.1 m-85 -135.14 173.71 11.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 110.877 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.627 HD12 ' HB2' ' A' ' 59' ' ' PHE . 6.4 pt -151.38 133.51 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.164 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -67.5 -67.97 0.42 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -162.88 -52.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -51.78 -49.08 63.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.54 -28.98 70.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.627 ' HB2' HD12 ' A' ' 54' ' ' ILE . 33.4 t80 -76.21 -31.07 58.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.892 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 35.3 mm -85.23 -25.12 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 60.4 m -55.74 -53.46 56.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.814 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -79.36 -18.04 53.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 9.7 t -93.94 91.3 6.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -105.84 -12.05 16.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.525 ' HB1' ' HB2' ' A' ' 71' ' ' LYS . . . 42.34 50.88 4.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.074 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.576 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -87.7 -67.09 0.16 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.642 0.735 . . . . 0.0 110.936 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.591 ' HG2' HD23 ' A' ' 69' ' ' LEU . 54.2 Cg_endo -69.83 -36.67 10.2 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.686 2.258 . . . . 0.0 112.338 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 132.19 34.0 0.39 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.504 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.591 HD23 ' HG2' ' A' ' 67' ' ' PRO . 0.5 OUTLIER -85.87 -33.08 21.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.806 0.336 . . . . 0.0 110.908 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.429 ' HG2' ' HG ' ' A' ' 69' ' ' LEU . 48.1 mmm -115.84 -21.32 9.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.525 ' HB2' ' HB1' ' A' ' 65' ' ' ALA . 49.0 tttt -72.82 -21.89 60.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -129.48 44.85 2.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.822 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -132.81 -29.33 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.453 ' HB2' ' O ' ' A' ' 3' ' ' ASP . . . -82.02 -4.08 55.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.104 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.72 -13.33 9.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.437 HG11 ' O ' ' A' ' 31' ' ' LEU . 55.5 t -50.58 -71.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 48.2 p90 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.982 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.781 0.324 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -113.4 174.28 5.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -120.81 -35.29 3.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -125.16 -30.66 3.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.5 mp0 -57.46 -24.6 56.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -78.94 -18.72 53.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.543 HG22 ' CE2' ' A' ' 11' ' ' PHE . 0.9 OUTLIER -101.29 -39.86 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.107 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -54.04 -59.81 4.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -56.04 -28.66 58.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -67.14 -47.17 71.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.543 ' CE2' HG22 ' A' ' 7' ' ' ILE . 46.5 m-85 -78.94 -22.37 45.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -94.85 23.84 5.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.816 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -55.74 -37.05 67.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.12 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 -53.45 -55.55 24.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 111.18 10.78 19.73 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.526 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -67.87 -27.95 67.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.876 0.37 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 113.39 -13.04 23.45 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.475 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.3 mttm -135.97 171.35 14.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.765 0.317 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.499 HD12 HD12 ' A' ' 24' ' ' LEU . 30.7 pt -127.9 134.49 65.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.162 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.61 97.97 0.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.815 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.558 ' O ' HG22 ' A' ' 25' ' ' THR . 0.0 OUTLIER -48.14 -44.54 32.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.5 t -48.45 -30.97 5.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -88.36 -31.13 19.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.544 ' CD2' HD11 ' A' ' 28' ' ' LEU . 10.4 tt -72.01 -53.77 11.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.922 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.647 ' HA ' HD12 ' A' ' 28' ' ' LEU . 5.4 t -53.24 -28.03 25.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.138 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -94.66 -20.41 19.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.855 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.96 22.89 6.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.647 HD12 ' HA ' ' A' ' 25' ' ' THR . 2.1 mt -102.89 -55.21 2.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -54.64 -37.17 65.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.1 t -65.31 -15.2 62.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.546 HD22 ' C ' ' A' ' 77' ' ' PHE . 36.2 mt -100.46 13.34 34.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.916 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.67 -33.51 5.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.472 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.8 m -48.82 164.35 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.001 0.429 . . . . 0.0 110.876 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.42 -50.48 1.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.174 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 89.3 p -86.92 63.99 8.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.829 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.451 ' HB1' ' O ' ' A' ' 25' ' ' THR . . . -78.72 -33.56 46.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.067 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -61.62 -16.71 50.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -51.91 -29.81 21.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.7 p -118.85 -21.56 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.4 tm0? -54.35 -23.56 15.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -120.59 5.04 10.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.481 ' O ' HG23 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -134.04 24.2 3.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.421 ' HB2' HD13 ' A' ' 21' ' ' LEU . 9.8 ptt? -78.81 -20.55 49.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.58 2.29 44.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -121.2 15.27 11.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.481 HG23 ' O ' ' A' ' 42' ' ' MET . 1.2 pt -110.83 -33.0 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -179.65 -45.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.444 HG21 HD11 ' A' ' 21' ' ' LEU . 13.0 m -51.51 115.85 1.81 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.155 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -117.58 -17.95 9.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.861 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -66.72 -117.17 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -112.17 -20.14 12.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.883 0.373 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 145.24 55.27 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.45 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.51 ' N ' HD21 ' A' ' 21' ' ' LEU . 87.6 m-85 -146.13 169.52 18.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.787 0.327 . . . . 0.0 110.902 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.502 HD12 ' HA ' ' A' ' 59' ' ' PHE . 6.7 pt -154.54 127.17 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.124 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -69.28 -67.2 0.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -161.07 -53.65 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -51.9 -45.16 64.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.46 ' HB2' HG22 ' A' ' 54' ' ' ILE . 1.9 mt-10 -72.27 -29.42 63.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.502 ' HA ' HD12 ' A' ' 54' ' ' ILE . 25.0 t80 -71.85 -29.7 64.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.876 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.425 ' HA ' ' HB2' ' A' ' 63' ' ' CYS . 30.1 mm -85.14 -21.91 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.152 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.4 p -58.94 -45.87 89.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -88.53 -20.92 24.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.425 ' HB2' ' HA ' ' A' ' 60' ' ' ILE . 17.8 m -86.91 49.58 1.84 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -61.32 -39.43 90.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.756 ' HB2' ' HB2' ' A' ' 70' ' ' MET . . . 58.59 46.23 14.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.109 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.551 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -79.46 -65.75 0.29 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.618 0.723 . . . . 0.0 110.874 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.586 ' HG2' HD23 ' A' ' 69' ' ' LEU . 53.7 Cg_endo -69.79 -37.41 9.14 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.672 2.248 . . . . 0.0 112.308 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 136.01 38.74 0.17 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.616 HD12 ' SD ' ' A' ' 70' ' ' MET . 0.4 OUTLIER -87.84 -30.92 19.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.821 0.343 . . . . 0.0 110.918 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.756 ' HB2' ' HB2' ' A' ' 65' ' ' ALA . 17.7 mmm -113.37 -21.7 10.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.0 tttt -82.9 -32.28 27.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -97.98 22.97 8.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -126.53 -31.27 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.181 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.05 -30.31 61.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.7 mmmt -90.33 -15.49 31.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.462 HG12 ' H ' ' A' ' 77' ' ' PHE . 2.8 t -88.37 165.5 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.144 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.546 ' C ' HD22 ' A' ' 31' ' ' LEU . 76.5 m-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.778 0.323 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -52.66 160.51 0.88 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.827 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 94.9 m-20 -135.69 -42.91 0.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.51 -29.03 4.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -69.45 -22.89 63.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 21.4 tpp180 -78.2 -25.05 46.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.566 HG22 ' CE2' ' A' ' 11' ' ' PHE . 0.7 OUTLIER -97.91 -40.1 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.097 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -54.68 -59.25 4.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -55.82 -29.45 59.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.05 -45.57 77.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.566 ' CE2' HG22 ' A' ' 7' ' ' ILE . 47.2 m-85 -79.17 -22.85 44.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -81.65 57.07 3.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.4 p -115.39 14.91 16.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 56.2 m-20 -77.69 -39.04 46.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 114.3 11.61 11.8 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -115.59 -33.93 5.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.84 0.352 . . . . 0.0 110.838 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 120.59 -22.35 8.27 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.464 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -92.01 -174.51 3.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.807 0.337 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.616 HD12 HD12 ' A' ' 24' ' ' LEU . 25.1 pt -145.64 133.03 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.61 101.37 1.01 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.835 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.554 HD13 ' HG2' ' A' ' 43' ' ' MET . 0.0 OUTLIER -49.15 -46.36 45.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.932 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.2 t -49.13 -30.3 6.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -88.51 -31.68 18.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.616 HD12 HD12 ' A' ' 19' ' ' ILE . 10.4 tt -71.83 -55.04 8.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.637 ' HA ' HD12 ' A' ' 28' ' ' LEU . 10.0 t -52.92 -25.82 13.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.139 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -96.99 -21.48 17.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.855 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . . . -94.07 19.05 9.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.637 HD12 ' HA ' ' A' ' 25' ' ' THR . 1.9 mt -98.47 -55.19 2.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.21 -34.85 24.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.415 HG23 ' N ' ' A' ' 31' ' ' LEU . 8.0 t -61.95 -41.54 98.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.415 ' N ' HG23 ' A' ' 30' ' ' THR . 17.2 mt -67.2 -27.51 67.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 118.84 51.29 0.3 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.476 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.573 ' HB3' HG21 ' A' ' 73' ' ' VAL . 1.0 OUTLIER -120.87 -178.09 3.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.986 0.422 . . . . 0.0 110.851 -179.75 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -125.29 3.36 7.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.137 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 99.5 p -116.45 70.6 0.77 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.96 -15.55 8.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.458 ' HA ' ' HB2' ' A' ' 40' ' ' GLN . 0.7 OUTLIER -115.06 -32.87 5.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -57.84 -50.53 73.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.2 p -83.28 -19.67 9.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.084 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.458 ' HB2' ' HA ' ' A' ' 37' ' ' ASP . 0.0 OUTLIER -53.12 -24.47 10.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.88 14.54 12.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.819 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 12.6 mtt -143.03 21.09 1.94 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.554 ' HG2' HD13 ' A' ' 21' ' ' LEU . 1.4 ttt -84.44 -18.18 36.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -98.46 3.41 48.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.099 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -114.98 -6.16 12.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.1 pt -92.88 -32.77 5.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.106 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -167.06 -55.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.554 HG21 HD11 ' A' ' 21' ' ' LEU . 91.5 m -48.09 111.62 0.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -62.93 -77.22 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -161.94 42.53 0.38 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.501 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -112.27 -42.15 3.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.869 0.366 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.83 22.01 11.51 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.51 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.494 ' N ' HD21 ' A' ' 21' ' ' LEU . 92.4 m-85 -147.83 171.92 14.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.831 0.348 . . . . 0.0 110.885 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.563 HD12 ' HB2' ' A' ' 59' ' ' PHE . 6.1 pt -153.75 132.57 3.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.11 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -67.72 -68.63 0.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -163.38 -53.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -51.03 -44.93 61.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -72.5 -25.43 61.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.563 ' HB2' HD12 ' A' ' 54' ' ' ILE . 8.9 t80 -75.96 -36.09 59.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 23.6 mm -76.94 -28.22 16.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.88 -53.38 41.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -85.01 -24.3 28.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 11.2 t -87.52 47.04 1.44 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -61.03 -40.41 93.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.77 ' HB2' ' HB2' ' A' ' 70' ' ' MET . . . 57.0 38.41 29.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.103 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.542 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -77.82 -64.78 0.39 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.615 0.722 . . . . 0.0 110.902 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.542 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.2 Cg_endo -69.77 -8.35 23.38 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.67 2.247 . . . . 0.0 112.307 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.28 51.14 1.36 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.449 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.659 HD12 ' HE3' ' A' ' 70' ' ' MET . 0.5 OUTLIER -103.7 -30.58 10.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.82 0.343 . . . . 0.0 110.884 -179.906 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.77 ' HB2' ' HB2' ' A' ' 65' ' ' ALA . 8.3 mmt -116.75 -21.25 9.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.4 tttm -77.07 -28.96 54.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.416 ' HA ' ' HD3' ' A' ' 75' ' ' LYS . 9.2 p-10 -102.9 32.83 3.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.573 HG21 ' HB3' ' A' ' 33' ' ' SER . 0.3 OUTLIER -133.44 -33.35 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 3' ' ' ASP . . . -58.68 -31.18 67.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.095 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.416 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 0.0 OUTLIER -89.63 -15.1 33.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.553 HG12 ' H ' ' A' ' 77' ' ' PHE . 1.6 t -89.98 170.58 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.553 ' H ' HG12 ' A' ' 76' ' ' VAL . 58.7 m-85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.801 0.334 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -104.78 158.37 16.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.434 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 78.3 m-20 -119.41 -46.81 2.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -118.02 -24.86 6.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -68.88 -32.3 71.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -69.33 -22.17 63.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.435 HG22 ' CE2' ' A' ' 11' ' ' PHE . 1.7 mt -95.35 -49.15 12.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -52.29 -38.97 59.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -72.12 -28.57 63.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.24 -43.2 64.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.435 ' CE2' HG22 ' A' ' 7' ' ' ILE . 44.1 m-85 -79.1 -23.63 43.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.874 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -81.63 57.23 3.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -87.64 -35.16 18.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.168 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -50.86 -37.13 41.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 92.58 -21.48 38.37 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -51.82 -30.25 22.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.842 0.353 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 124.76 -36.88 2.74 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.447 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.9 mttm -91.9 -171.68 2.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.762 0.315 . . . . 0.0 110.924 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.507 HD12 HD12 ' A' ' 24' ' ' LEU . 37.2 pt -146.79 147.04 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.126 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.431 ' CB ' ' HB2' ' A' ' 23' ' ' GLU . 67.8 m -58.5 112.46 1.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.689 HD11 ' HB2' ' A' ' 43' ' ' MET . 0.1 OUTLIER -71.72 -65.85 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.932 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.4 m -48.94 -19.8 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.431 ' HB2' ' CB ' ' A' ' 20' ' ' SER . 41.4 mm-40 -91.19 -28.8 17.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.513 ' CD2' HD11 ' A' ' 28' ' ' LEU . 10.5 tt -70.17 -54.83 11.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.683 ' OG1' HG13 ' A' ' 39' ' ' VAL . 13.9 t -53.33 -25.24 14.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -97.35 -21.14 17.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.07 17.76 10.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.604 HD12 ' HA ' ' A' ' 25' ' ' THR . 2.3 mt -99.45 -50.48 4.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.655 ' HD3' ' HB3' ' A' ' 36' ' ' ALA . 2.9 tpt180 -56.69 -22.79 37.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.4 t -79.29 -15.34 58.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 27.8 mt -102.73 12.18 36.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.65 ' HA3' HG11 ' A' ' 76' ' ' VAL . . . 75.37 57.87 4.12 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.511 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -121.48 -178.43 3.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.99 0.424 . . . . 0.0 110.832 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.68 12.1 3.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.138 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.481 ' O ' HG12 ' A' ' 39' ' ' VAL . 14.5 t -119.28 35.59 4.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.655 ' HB3' ' HD3' ' A' ' 29' ' ' ARG . . . -88.88 -54.8 3.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.138 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.59 -3.75 39.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -85.85 -52.65 5.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.683 HG13 ' OG1' ' A' ' 25' ' ' THR . 4.8 p -77.43 -20.21 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.123 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.44 -25.31 9.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.0 ptp85 -123.45 -2.89 8.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.517 ' O ' HG23 ' A' ' 46' ' ' ILE . 11.5 mtt -114.55 11.57 17.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.689 ' HB2' HD11 ' A' ' 21' ' ' LEU . 9.9 ptt? -75.56 -24.73 56.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -97.36 14.59 25.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -136.93 17.45 3.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.517 HG23 ' O ' ' A' ' 42' ' ' MET . 1.1 pt -114.79 -32.89 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 179.57 -45.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.549 HG21 HD12 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -52.11 115.43 1.71 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.142 -179.882 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -57.42 -75.28 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -173.91 44.43 0.15 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -112.74 -37.9 4.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.836 0.351 . . . . 0.0 110.837 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.65 23.37 8.85 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.477 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.411 ' O ' HG23 ' A' ' 48' ' ' THR . 92.5 m-85 -147.35 173.32 12.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.823 0.344 . . . . 0.0 110.884 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.642 HD12 ' HB2' ' A' ' 59' ' ' PHE . 6.9 pt -153.09 129.1 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -68.09 -65.19 0.73 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -165.14 -53.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -52.4 -50.33 62.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.836 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -63.08 -29.4 70.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.642 ' HB2' HD12 ' A' ' 54' ' ' ILE . 10.3 t80 -72.97 -36.62 67.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 27.9 mm -77.42 -23.34 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.113 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.1 t -60.56 -46.42 90.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -78.47 -16.38 57.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 61.0 m -84.83 53.15 2.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -60.57 -39.18 87.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.633 ' HB2' ' HB2' ' A' ' 70' ' ' MET . . . 60.26 38.46 19.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.55 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -84.09 -65.4 0.22 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.584 0.707 . . . . 0.0 110.892 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.634 ' HG2' HD23 ' A' ' 69' ' ' LEU . 54.2 Cg_endo -69.71 -37.13 9.72 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.706 2.271 . . . . 0.0 112.375 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 134.08 34.76 0.28 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.508 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.634 HD23 ' HG2' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -87.21 -23.31 24.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.828 0.346 . . . . 0.0 110.953 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.633 ' HB2' ' HB2' ' A' ' 65' ' ' ALA . 28.8 mmm -116.58 -21.87 8.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.6 tttm -83.39 -17.99 40.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.935 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -130.01 46.56 2.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -137.21 -30.42 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.116 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.434 ' HB2' ' O ' ' A' ' 3' ' ' ASP . . . -84.23 -4.55 58.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.092 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.54 -13.0 9.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.65 HG11 ' HA3' ' A' ' 32' ' ' GLY . 79.7 t -51.28 -73.58 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 7.9 t80 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.976 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.799 0.333 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -74.23 169.75 16.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.861 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.469 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 24.2 m-20 -117.39 -35.15 4.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -128.38 -32.24 2.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 22.8 mp0 -58.96 -29.94 67.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.9 ttp85 -70.78 -19.35 62.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.91 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.564 HG22 ' CE2' ' A' ' 11' ' ' PHE . 0.9 OUTLIER -101.94 -41.02 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -54.93 -61.82 2.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -53.08 -29.52 30.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -50.92 60.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.58 ' C ' HG22 ' A' ' 19' ' ' ILE . 37.6 m-85 -80.9 0.26 36.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -91.69 49.55 1.59 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.2 p -99.78 9.47 42.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.189 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -77.65 -74.48 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 156.11 -31.76 0.6 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.482 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -86.32 11.01 13.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.795 0.331 . . . . 0.0 110.827 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 75.42 0.77 63.19 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.563 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.4 mtpt -92.09 177.22 6.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.797 0.332 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.58 HG22 ' C ' ' A' ' 11' ' ' PHE . 38.8 pt -145.69 134.5 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.445 ' HG ' ' HE2' ' A' ' 53' ' ' PHE . 0.8 OUTLIER -67.95 97.05 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.933 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.495 HD11 HG21 ' A' ' 48' ' ' THR . 0.0 OUTLIER -48.62 -44.78 37.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 83.6 p -48.37 -30.23 4.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -87.53 -32.38 19.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.526 ' CD2' HD11 ' A' ' 28' ' ' LEU . 10.4 tt -72.86 -55.73 6.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.626 ' HA ' HD12 ' A' ' 28' ' ' LEU . 10.2 t -53.08 -25.61 13.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -96.12 -21.42 17.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.825 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.7 21.24 7.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.626 HD12 ' HA ' ' A' ' 25' ' ' THR . 2.1 mt -102.11 -53.14 2.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.7 ttt180 -56.79 -22.8 38.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.6 t -79.57 -15.24 58.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.457 HD22 ' CD1' ' A' ' 77' ' ' PHE . 16.5 mt -100.48 10.08 41.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.961 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.01 51.8 2.19 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.455 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 m -123.57 161.05 25.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.947 0.403 . . . . 0.0 110.818 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.56 3.77 5.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.132 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 63.5 p -127.83 50.72 2.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.62 ' HB1' ' O ' ' A' ' 25' ' ' THR . . . -103.08 -37.0 7.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.101 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.427 ' HA ' ' HB2' ' A' ' 40' ' ' GLN . 9.5 t0 -69.9 -23.14 63.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.837 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -56.19 -54.59 43.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.47 ' O ' HG22 ' A' ' 39' ' ' VAL . 6.1 p -84.56 -12.21 11.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.115 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.427 ' HB2' ' HA ' ' A' ' 37' ' ' ASP . 0.4 OUTLIER -63.38 -12.54 31.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.944 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.57 5.4 7.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.422 ' HG2' ' HA ' ' A' ' 39' ' ' VAL . 3.3 ptm -132.19 3.14 3.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 16.2 ptt? -61.82 -16.87 53.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.831 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -102.15 21.12 15.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.072 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -150.39 31.7 0.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -121.35 -77.74 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -139.17 -25.71 0.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.495 HG21 HD11 ' A' ' 21' ' ' LEU . 45.5 m -43.43 121.75 2.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.168 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -123.79 -9.98 7.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -87.89 27.78 6.42 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 53.64 37.65 26.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.347 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 122.51 23.32 2.36 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.479 ' N ' HD21 ' A' ' 21' ' ' LEU . 90.3 m-85 -147.83 170.57 17.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.794 0.33 . . . . 0.0 110.875 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.581 HD12 ' HA ' ' A' ' 59' ' ' PHE . 4.0 pt -155.37 119.76 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.131 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -57.19 -70.96 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -162.69 -52.52 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -56.03 -26.25 48.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.419 ' CB ' HG22 ' A' ' 54' ' ' ILE . 71.6 mt-10 -88.4 -30.09 19.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.581 ' HA ' HD12 ' A' ' 54' ' ' ILE . 17.9 t80 -73.74 -25.54 60.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 31.8 mm -88.27 -30.35 5.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.16 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.67 -55.68 18.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -78.43 -19.15 53.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 35.4 t -95.33 82.75 3.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -100.33 -12.9 19.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.605 ' HB2' ' HB2' ' A' ' 70' ' ' MET . . . 45.02 45.0 8.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.116 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.554 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -80.98 -66.29 0.24 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.595 0.712 . . . . 0.0 110.889 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.56 ' HG2' HD23 ' A' ' 69' ' ' LEU . 53.9 Cg_endo -69.77 -10.1 27.72 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.702 2.268 . . . . 0.0 112.327 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.05 37.97 3.96 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.513 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.56 HD23 ' HG2' ' A' ' 67' ' ' PRO . 0.6 OUTLIER -95.47 -28.28 14.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.832 0.349 . . . . 0.0 110.915 -179.9 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.605 ' HB2' ' HB2' ' A' ' 65' ' ' ALA . 11.2 mmt -113.14 -21.19 11.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.584 ' HB2' ' HB1' ' A' ' 65' ' ' ALA . 42.4 tttm -82.83 -31.25 28.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -103.5 30.42 5.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -125.05 -28.48 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.186 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.469 ' HB2' ' O ' ' A' ' 3' ' ' ASP . . . -84.39 -2.87 57.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.6 mmtm -112.12 -22.81 10.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 88.5 t -63.83 -41.26 91.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.457 ' CD1' HD22 ' A' ' 31' ' ' LEU . 13.7 t80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.78 0.324 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -107.95 71.68 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.485 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 22.9 m-20 -55.63 -43.69 76.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -117.52 -31.04 5.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -59.1 -19.76 47.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 19.4 ttt85 -86.92 -6.73 58.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.5 HG22 ' CE2' ' A' ' 11' ' ' PHE . 0.8 OUTLIER -115.99 -39.35 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -51.93 -56.55 13.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.672 ' O ' HG23 ' A' ' 13' ' ' THR . 6.1 mtpm? -64.73 -19.54 65.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.901 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.53 -32.0 63.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.841 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.5 ' CE2' HG22 ' A' ' 7' ' ' ILE . 54.9 m-85 -100.75 -24.03 14.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -92.02 14.25 16.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.672 HG23 ' O ' ' A' ' 9' ' ' LYS . 0.8 OUTLIER -56.11 -35.61 67.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 -179.866 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 -51.07 -31.24 18.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 94.58 -14.45 65.3 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.511 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -52.12 -29.61 22.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.363 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.97 -56.48 0.52 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.456 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.3 mttp -92.15 169.61 10.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.767 0.317 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.467 HD11 ' CD1' ' A' ' 59' ' ' PHE . 30.0 pt -127.27 133.76 67.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.137 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.16 98.26 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.6 HD13 ' CG ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -47.93 -43.32 28.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.6 p -47.43 -29.87 2.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -90.09 -32.2 16.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.506 ' CD2' HD11 ' A' ' 28' ' ' LEU . 10.4 tt -72.11 -55.38 7.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.628 ' HA ' HD12 ' A' ' 28' ' ' LEU . 9.2 t -53.28 -25.42 14.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -97.3 -20.71 17.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.12 17.7 12.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.628 HD12 ' HA ' ' A' ' 25' ' ' THR . 1.9 mt -98.17 -57.21 2.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.03 -34.67 63.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.4 t -64.32 -15.22 59.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.401 ' O ' HG11 ' A' ' 76' ' ' VAL . 28.0 mt -102.99 3.2 35.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.62 15.09 30.35 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 74.1 m -64.87 -174.18 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.939 0.4 . . . . 0.0 110.846 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.23 -51.27 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.8 m -89.58 51.97 2.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.97 -37.23 12.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.061 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -83.71 -1.7 54.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -85.46 -52.43 5.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.438 HG22 ' HB2' ' A' ' 43' ' ' MET . 2.9 p -82.46 -15.19 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -49.74 -27.87 5.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -117.77 -8.71 10.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.1 mtt -110.84 18.7 19.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.6 ' CG ' HD13 ' A' ' 21' ' ' LEU . 24.4 tpp -82.34 -24.52 34.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.836 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.42 1.86 57.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.112 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -116.44 15.5 15.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.48 HD13 ' HB2' ' A' ' 62' ' ' PHE . 1.1 pt -115.61 -27.95 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 179.15 -50.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.586 HG21 HD11 ' A' ' 21' ' ' LEU . 26.6 m -49.66 113.13 0.77 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.166 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -119.61 -16.14 8.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -70.53 -139.69 0.17 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.474 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -85.54 -5.7 59.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.905 0.383 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 123.72 55.56 0.19 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.51 ' N ' HD21 ' A' ' 21' ' ' LEU . 72.4 m-85 -143.5 169.78 17.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.365 . . . . 0.0 110.842 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.573 HD12 ' HB2' ' A' ' 59' ' ' PHE . 5.5 pt -155.34 127.57 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.134 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -69.53 -66.2 0.62 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -161.86 -52.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -54.74 -45.31 74.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.469 ' HB2' HG22 ' A' ' 54' ' ' ILE . 66.7 mt-10 -72.55 -24.35 61.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.573 ' HB2' HD12 ' A' ' 54' ' ' ILE . 7.5 t80 -79.23 -24.11 43.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 39.7 mm -91.91 -25.21 5.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.9 m -61.62 -28.3 69.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.48 ' HB2' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -90.94 -23.54 20.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 7.3 m -79.32 57.77 2.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 35.5 m-20 -51.92 -38.39 56.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.456 ' HB2' ' SD ' ' A' ' 70' ' ' MET . . . 64.67 30.09 12.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.566 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -94.85 -66.46 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.615 0.721 . . . . 0.0 110.907 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.566 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 54.0 Cg_endo -69.68 -6.57 18.89 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.659 2.24 . . . . 0.0 112.384 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 86.99 25.07 35.46 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.493 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.524 HD12 ' N ' ' A' ' 70' ' ' MET . 4.3 pp -67.39 -37.0 82.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.784 0.326 . . . . 0.0 110.939 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.524 ' N ' HD12 ' A' ' 69' ' ' LEU . 3.3 ppp? -114.54 -21.11 10.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.6 tttp -69.87 -24.79 63.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.912 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.03 35.69 4.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -127.09 -29.49 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.187 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' A' ' 3' ' ' ASP . . . -84.99 2.38 43.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.072 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.05 -10.79 8.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.401 HG11 ' O ' ' A' ' 31' ' ' LEU . 54.6 t -66.52 -68.48 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.163 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 6.6 t80 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.819 -179.959 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.782 0.325 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.56 173.53 7.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.504 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 4.5 m-20 -141.71 -44.75 0.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -120.45 -29.98 4.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -57.86 -35.96 71.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 -69.12 -22.17 63.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.425 HG22 ' CE2' ' A' ' 11' ' ' PHE . 1.8 mt -92.18 -48.92 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.109 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -51.81 -57.2 10.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -56.07 -26.77 50.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -45.92 55.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.873 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.425 ' CE2' HG22 ' A' ' 7' ' ' ILE . 40.4 m-85 -78.8 -21.38 47.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -80.23 57.24 2.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.9 p -98.47 32.42 2.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.104 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -109.11 -74.87 0.64 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -170.75 52.23 0.19 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.489 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.7 t0 51.79 36.7 18.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.84 0.353 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -112.84 -83.44 1.25 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.5 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.4 mttp -136.26 176.78 8.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.78 0.324 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.626 HD12 HD12 ' A' ' 24' ' ' LEU . 19.7 pt -126.93 147.09 31.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.181 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.9 p -57.51 112.61 1.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.93 HD12 HG21 ' A' ' 48' ' ' THR . 0.2 OUTLIER -69.68 -68.13 0.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.8 p -48.61 -20.87 0.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -90.76 -30.26 17.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.626 HD12 HD12 ' A' ' 19' ' ' ILE . 10.5 tt -70.2 -54.59 12.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.608 ' HA ' HD12 ' A' ' 28' ' ' LEU . 10.1 t -53.16 -25.72 14.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -97.45 -20.53 17.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.63 18.48 9.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.126 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.608 HD12 ' HA ' ' A' ' 25' ' ' THR . 2.3 mt -99.87 -58.54 1.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.961 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.0 ttt85 -51.51 -33.5 32.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.408 HG23 ' N ' ' A' ' 31' ' ' LEU . 6.2 t -61.26 -42.13 98.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.408 ' N ' HG23 ' A' ' 30' ' ' THR . 11.3 mt -72.79 -0.75 14.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 102.77 12.8 31.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.451 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.471 ' OG ' HG21 ' A' ' 73' ' ' VAL . 69.1 m -60.3 -172.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.941 0.401 . . . . 0.0 110.878 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.09 -50.64 0.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.108 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.4 p -87.6 54.22 3.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.2 -52.33 8.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.078 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.411 ' HA ' ' HB2' ' A' ' 40' ' ' GLN . 6.0 t70 -73.64 -26.0 60.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -55.47 -30.74 61.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.0 p -110.64 -20.26 6.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.179 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.411 ' HB2' ' HA ' ' A' ' 37' ' ' ASP . 1.0 OUTLIER -53.13 -24.5 10.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.915 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.78 15.8 11.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.6 mtt -141.81 17.43 2.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.447 ' HG2' HD11 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -81.98 -24.22 35.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.91 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -90.63 8.76 32.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -124.39 5.47 8.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.642 HD13 ' HB2' ' A' ' 62' ' ' PHE . 1.0 OUTLIER -113.19 -19.69 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -177.47 -57.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.93 HG21 HD12 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -50.02 121.98 6.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 -179.879 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -77.38 -22.95 50.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.849 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 141.99 -10.05 2.55 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -58.38 -17.96 24.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.828 0.347 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.13 27.27 60.35 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.51 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.466 ' O ' HG23 ' A' ' 48' ' ' THR . 88.8 m-85 -150.15 172.96 14.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.894 0.378 . . . . 0.0 110.863 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.507 HD12 ' HB2' ' A' ' 59' ' ' PHE . 4.9 pt -153.95 121.56 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.159 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -64.3 -62.12 1.81 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -168.21 -52.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -58.82 -24.77 62.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.446 ' CB ' HG22 ' A' ' 54' ' ' ILE . 40.4 mt-10 -88.02 -16.2 34.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.507 ' HB2' HD12 ' A' ' 54' ' ' ILE . 19.9 t80 -90.01 -26.96 20.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 33.7 mm -87.01 -22.17 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.108 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 80.2 p -60.44 -46.0 91.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.642 ' HB2' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -86.61 -22.18 26.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 10.6 m -84.1 51.99 2.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -60.92 -38.67 86.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.648 ' HB2' ' HB2' ' A' ' 70' ' ' MET . . . 62.46 40.81 10.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.548 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -79.5 -65.29 0.3 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.614 0.721 . . . . 0.0 110.876 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.548 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.9 Cg_endo -69.73 -9.52 26.31 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.671 2.247 . . . . 0.0 112.358 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.24 36.65 5.11 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.466 ' HG ' ' HG2' ' A' ' 70' ' ' MET . 0.6 OUTLIER -88.86 -28.29 20.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.832 0.349 . . . . 0.0 110.937 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.648 ' HB2' ' HB2' ' A' ' 65' ' ' ALA . 27.9 mmm -99.04 -22.52 15.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -85.63 -32.24 22.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -96.26 28.34 3.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.899 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.471 HG21 ' OG ' ' A' ' 33' ' ' SER . 0.3 OUTLIER -130.88 -28.82 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.088 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 3' ' ' ASP . . . -85.42 0.69 51.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.06 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.7 -10.35 8.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 51.3 t -58.68 -71.63 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 86.9 t80 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.979 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.825 0.345 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -149.09 148.53 29.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.49 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 89.7 m-20 -111.77 -33.67 6.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -126.36 -31.35 2.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -56.8 -49.71 74.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 41.7 ttm-85 -53.48 -26.61 21.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.804 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.4 mt -88.34 -52.69 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -50.62 -58.44 5.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.4 mtpt -56.14 -25.24 45.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.26 -47.7 33.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -76.83 -21.67 54.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -83.16 55.84 3.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.3 p -122.24 47.99 1.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -110.5 -47.37 3.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 122.07 11.43 5.78 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -114.61 -74.44 0.62 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.882 0.372 . . . . 0.0 110.895 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 176.05 -59.9 0.11 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.492 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -71.18 178.94 3.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.726 0.298 . . . . 0.0 110.939 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.678 HD12 HD12 ' A' ' 24' ' ' LEU . 18.2 pt -127.05 146.83 32.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.129 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.472 ' CB ' ' HB2' ' A' ' 23' ' ' GLU . 58.8 m -58.23 113.56 1.99 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.572 HD12 HG21 ' A' ' 48' ' ' THR . 0.2 OUTLIER -68.24 -66.88 0.51 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.912 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.4 t -46.42 -22.44 0.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.472 ' HB2' ' CB ' ' A' ' 20' ' ' SER . 0.4 OUTLIER -88.86 -33.37 17.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.921 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.678 HD12 HD12 ' A' ' 19' ' ' ILE . 10.4 tt -71.65 -55.69 7.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.942 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.616 ' HA ' HD12 ' A' ' 28' ' ' LEU . 8.3 t -52.53 -25.95 11.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -97.12 -20.99 17.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.79 18.88 9.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.093 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.616 HD12 ' HA ' ' A' ' 25' ' ' THR . 2.1 mt -99.56 -56.46 2.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.4 ptt85 -54.47 -35.8 63.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.419 HG23 ' N ' ' A' ' 31' ' ' LEU . 7.1 t -57.72 -42.36 83.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.419 ' N ' HG23 ' A' ' 30' ' ' THR . 12.4 mt -68.82 -22.52 64.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 117.74 46.61 0.47 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.484 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.6 p -109.19 170.3 8.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.942 0.401 . . . . 0.0 110.892 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.57 10.47 5.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 77.1 p -125.69 52.85 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -102.21 -57.12 2.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -71.34 -7.61 48.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -85.89 -25.78 25.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.457 HG22 ' HB2' ' A' ' 43' ' ' MET . 3.9 p -111.86 -17.21 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.104 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -50.79 -25.4 4.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.933 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.6 ptt180 -121.06 -9.85 9.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 4.4 mmt -106.37 12.47 29.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.582 ' SD ' HD11 ' A' ' 46' ' ' ILE . 5.1 tpt -80.55 -27.37 37.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.74 8.67 27.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -126.94 16.69 7.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.582 HD11 ' SD ' ' A' ' 43' ' ' MET . 1.0 OUTLIER -123.52 -33.03 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.086 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -167.63 -58.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.572 HG21 HD12 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -48.38 109.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -51.73 -36.97 49.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 146.97 -13.75 1.49 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.518 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -49.79 -35.36 22.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.88 0.371 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 101.99 26.42 7.48 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.466 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.568 ' O ' HG23 ' A' ' 48' ' ' THR . 94.3 m-85 -150.03 172.7 14.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.826 0.346 . . . . 0.0 110.883 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.636 HD12 ' HB2' ' A' ' 59' ' ' PHE . 11.3 pt -153.13 129.72 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.158 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -73.55 -62.81 1.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -165.47 -53.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -52.01 -44.44 64.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -71.84 -26.73 62.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.636 ' HB2' HD12 ' A' ' 54' ' ' ILE . 24.4 t80 -77.56 -23.68 50.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.838 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 39.8 mm -94.05 -32.77 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -50.61 -59.4 4.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.576 ' CB ' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -72.54 -19.14 61.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 28.6 t -95.72 85.01 4.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -99.87 -13.7 19.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.633 ' HB2' ' HB2' ' A' ' 70' ' ' MET . . . 43.2 37.79 1.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.083 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.555 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -79.59 -65.69 0.29 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.597 0.713 . . . . 0.0 110.855 -179.91 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.555 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 54.2 Cg_endo -69.79 -9.49 26.22 Favored 'Trans proline' 0 C--O 1.231 0.132 0 C-N-CA 122.675 2.25 . . . . 0.0 112.368 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.35 34.08 5.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.548 HD23 ' HG2' ' A' ' 67' ' ' PRO . 0.6 OUTLIER -91.32 -27.4 18.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.845 0.355 . . . . 0.0 110.965 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.633 ' HB2' ' HB2' ' A' ' 65' ' ' ALA . 10.9 mmt -115.4 -21.4 9.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.479 ' HB2' ' HB1' ' A' ' 65' ' ' ALA . 0.9 OUTLIER -76.36 -26.9 56.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -110.2 33.87 4.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -127.61 -29.3 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.49 ' HB2' ' O ' ' A' ' 3' ' ' ASP . . . -84.01 -3.19 57.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.3 mmtm -112.99 -21.74 10.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 77.4 t -57.38 -74.26 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.101 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.0 t80 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.786 0.326 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -119.42 157.79 27.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.467 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 19.0 m-20 -118.13 -35.26 3.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -125.29 -28.5 3.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -57.05 -34.47 68.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 72.6 ttt-85 -70.27 -10.75 59.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.489 HG22 ' CE2' ' A' ' 11' ' ' PHE . 0.9 OUTLIER -106.45 -34.6 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -66.92 -50.83 61.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -64.0 -23.21 67.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -75.56 -45.33 38.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.489 ' CE2' HG22 ' A' ' 7' ' ' ILE . 42.9 m-85 -79.17 -23.59 43.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -81.41 57.28 3.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.2 p -118.02 19.73 13.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.167 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -77.64 -67.53 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 157.52 -27.29 0.48 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -84.89 -67.05 0.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.842 0.353 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 165.52 -39.46 0.28 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.466 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.9 mttm -72.9 171.38 12.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.801 0.334 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.554 HD12 HD12 ' A' ' 24' ' ' LEU . 30.5 pt -127.02 146.19 33.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.093 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 64.7 m -58.26 112.68 1.63 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.576 HD11 ' HB2' ' A' ' 43' ' ' MET . 0.1 OUTLIER -68.51 -65.67 0.67 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.5 t -48.29 -20.32 0.38 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.831 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -90.08 -29.99 17.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.554 HD12 HD12 ' A' ' 19' ' ' ILE . 10.3 tt -70.5 -55.88 7.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.954 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.602 ' HA ' HD12 ' A' ' 28' ' ' LEU . 10.1 t -53.18 -25.11 12.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.148 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -96.97 -21.21 17.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.16 22.92 6.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.136 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.602 HD12 ' HA ' ' A' ' 25' ' ' THR . 2.1 mt -103.7 -52.72 2.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.9 mmm-85 -65.43 -17.23 64.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.9 t -80.15 -14.94 58.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.108 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.1 mt -102.84 10.75 38.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 90.78 46.75 3.87 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.543 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.7 m -113.97 168.11 10.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.985 0.421 . . . . 0.0 110.849 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -133.8 7.64 3.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.106 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.3 m -126.11 55.54 1.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.441 ' HB1' ' O ' ' A' ' 25' ' ' THR . . . -114.37 -37.69 4.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.077 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -74.34 -6.69 49.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -85.85 -29.63 23.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.462 ' O ' HG22 ' A' ' 39' ' ' VAL . 4.7 p -105.43 -13.24 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.07 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -61.59 -15.28 37.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -127.7 6.8 6.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.404 ' HG2' ' HA ' ' A' ' 39' ' ' VAL . 0.3 OUTLIER -127.82 -1.52 5.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.576 ' HB2' HD11 ' A' ' 21' ' ' LEU . 11.3 ptt? -60.02 -18.45 46.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -98.37 20.54 12.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.096 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -148.25 26.66 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -121.62 -32.82 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.187 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -176.21 -44.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 97.0 m -51.39 114.48 1.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -56.0 -35.14 66.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 151.26 -18.84 0.93 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.459 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -51.84 -40.55 60.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.866 0.365 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.62 23.29 7.61 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -142.83 177.52 8.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.883 0.373 . . . . 0.0 110.854 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.713 HD12 ' HB2' ' A' ' 59' ' ' PHE . 7.7 pt -153.44 130.36 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.143 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -70.5 -64.89 0.81 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -163.84 -50.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -58.82 -49.56 77.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.459 ' CB ' HG22 ' A' ' 54' ' ' ILE . 1.8 mt-10 -59.25 -29.93 67.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.713 ' HB2' HD12 ' A' ' 54' ' ' ILE . 14.2 t80 -71.95 -48.32 46.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 31.5 mm -70.57 -20.28 22.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.159 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.4 p -52.6 -46.9 67.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.849 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.422 ' CZ ' HD13 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -101.15 -18.87 15.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 73.1 m -88.62 63.8 7.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -97.03 -8.74 29.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.785 ' HB2' ' HB2' ' A' ' 70' ' ' MET . . . 56.29 50.34 13.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.544 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -82.41 -65.54 0.24 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.615 0.722 . . . . 0.0 110.854 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.544 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.9 Cg_endo -69.73 -36.44 10.87 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.65 2.233 . . . . 0.0 112.325 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 134.19 33.22 0.32 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.528 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.523 HD23 ' HG2' ' A' ' 67' ' ' PRO . 0.5 OUTLIER -85.32 -30.46 23.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.802 0.334 . . . . 0.0 110.92 -179.891 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.785 ' HB2' ' HB2' ' A' ' 65' ' ' ALA . 17.0 mmt -117.14 -21.15 8.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.412 ' HB2' ' HB1' ' A' ' 65' ' ' ALA . 82.8 tttt -74.57 -20.91 59.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -129.93 42.82 3.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -136.52 -30.26 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.129 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' A' ' 3' ' ' ASP . . . -77.24 -5.57 49.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.112 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.31 -20.92 10.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.9 t -51.29 -73.09 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 26.2 t80 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.97 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.8 0.333 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -149.49 175.31 11.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.48 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 47.4 m-20 -121.47 -35.3 3.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -124.79 -29.14 3.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -57.47 -37.61 73.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 56.9 ttt-85 -72.15 -9.5 58.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.415 HG22 ' CE2' ' A' ' 11' ' ' PHE . 1.5 mt -100.46 -59.2 3.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -50.24 -57.57 7.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.4 mmtp -53.72 -28.29 33.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -74.4 -47.97 30.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.415 ' CE2' HG22 ' A' ' 7' ' ' ILE . 36.0 m-85 -80.59 0.48 33.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -95.4 48.54 1.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.0 p -101.64 10.81 39.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.172 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 -77.68 -73.94 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 139.88 -18.53 2.96 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.44 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -86.4 10.91 13.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.9 0.381 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 72.25 22.46 78.86 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.488 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 66.4 mttt -136.34 173.55 11.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.756 0.312 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.443 HD12 HD12 ' A' ' 24' ' ' LEU . 19.5 pt -127.23 146.19 33.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.42 ' HB3' ' HB2' ' A' ' 23' ' ' GLU . 72.5 m -60.82 97.81 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.517 ' CD2' ' C ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -53.86 -68.24 0.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.924 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.2 t -47.38 -22.11 0.39 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.42 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 3.9 tp10 -84.98 -31.38 23.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.543 ' CD2' HD11 ' A' ' 28' ' ' LEU . 10.5 tt -70.85 -54.32 11.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.922 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.708 ' OG1' HG13 ' A' ' 39' ' ' VAL . 9.8 t -53.38 -25.97 17.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -96.71 -20.72 18.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.28 23.88 5.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.161 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.594 HD12 ' HA ' ' A' ' 25' ' ' THR . 2.4 mt -104.82 -50.79 3.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -55.43 -21.62 16.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.417 HG23 ' N ' ' A' ' 31' ' ' LEU . 9.5 t -78.22 -41.27 34.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.106 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.417 ' N ' HG23 ' A' ' 30' ' ' THR . 13.1 mt -68.9 -22.61 64.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.63 60.74 1.08 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.471 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.481 ' HB2' HG23 ' A' ' 73' ' ' VAL . 0.2 OUTLIER -122.6 -9.21 8.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.932 0.396 . . . . 0.0 110.814 -179.725 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 54.1 22.65 3.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.089 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.5 m -128.0 59.92 1.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.841 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -110.25 -51.89 2.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.085 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -76.13 -1.74 27.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -85.89 -26.23 25.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.708 HG13 ' OG1' ' A' ' 25' ' ' THR . 4.7 p -112.0 -21.98 5.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.125 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.31 -24.72 12.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -121.76 13.63 10.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 9.2 mtm -140.7 19.74 2.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.508 ' HB2' HD11 ' A' ' 21' ' ' LEU . 6.9 ptt? -78.02 -22.83 48.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -97.79 10.02 41.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -126.69 14.6 7.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.888 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.1 pt -113.4 -33.83 2.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -174.7 -50.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 93.7 m -50.73 124.81 11.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.149 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -70.49 -76.12 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -164.93 40.81 0.29 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -112.37 -41.29 3.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.877 0.37 . . . . 0.0 110.846 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 101.72 23.06 9.63 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.405 ' O ' HG23 ' A' ' 54' ' ' ILE . 90.3 m-85 -145.5 172.61 12.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.844 0.354 . . . . 0.0 110.868 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.687 HD12 ' HB2' ' A' ' 59' ' ' PHE . 4.3 pt -154.54 125.3 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -58.99 -69.14 0.21 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -164.53 -52.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.838 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -55.56 -46.72 77.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.843 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -62.26 -21.45 65.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.687 ' HB2' HD12 ' A' ' 54' ' ' ILE . 4.9 t80 -85.81 -35.79 20.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 33.3 mm -78.59 -31.75 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.101 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.5 m -51.36 -57.89 7.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -76.1 -23.55 54.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 36.3 t -88.9 83.14 6.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -103.71 -11.94 17.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.578 ' HB1' ' HB2' ' A' ' 71' ' ' LYS . . . 46.51 56.27 6.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.071 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.587 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -90.92 -67.35 0.12 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.651 0.738 . . . . 0.0 110.894 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.587 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.4 Cg_endo -69.81 -36.63 10.31 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.679 2.252 . . . . 0.0 112.323 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 133.02 35.16 0.31 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.476 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.582 HD23 ' HG2' ' A' ' 67' ' ' PRO . 0.6 OUTLIER -91.46 -30.95 16.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.794 0.33 . . . . 0.0 110.965 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.434 ' HB2' ' HB2' ' A' ' 65' ' ' ALA . 12.3 mmt -117.88 -21.07 8.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.578 ' HB2' ' HB1' ' A' ' 65' ' ' ALA . 11.0 tttt -77.07 -21.58 54.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -117.39 41.27 2.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.481 HG23 ' HB2' ' A' ' 33' ' ' SER . 0.8 OUTLIER -129.83 -32.18 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.11 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.48 ' HB2' ' O ' ' A' ' 3' ' ' ASP . . . -84.97 3.66 37.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -119.61 -25.0 6.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 98.3 t -61.56 -44.21 98.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.109 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 23.4 p90 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.847 -179.98 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.121 0 CA-C-O 120.814 0.34 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -102.6 120.42 40.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 87.9 m-20 -97.8 -35.11 10.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -124.11 -31.73 3.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -58.73 -33.9 70.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.506 ' HB3' ' HB1' ' A' ' 74' ' ' ALA . 7.2 tpm_? -69.08 -21.56 64.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.3 mt -92.59 -51.5 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.085 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -53.53 -56.69 14.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.12 -32.85 64.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.917 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.26 -44.47 79.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.873 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -79.36 -21.36 45.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -83.48 57.13 3.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.836 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.1 p -114.54 13.3 17.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -77.64 -49.54 14.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.82 11.24 9.4 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.498 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -112.38 -54.5 2.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.816 0.341 . . . . 0.0 110.838 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 156.17 -60.3 0.36 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.44 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -69.67 176.3 3.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.755 0.312 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.7 HD12 HD12 ' A' ' 24' ' ' LEU . 15.7 pt -127.06 147.08 32.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.067 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 t -58.47 112.48 1.6 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.854 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.563 ' CD2' ' C ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -69.71 -67.64 0.47 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 84.4 p -48.02 -21.51 0.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -92.32 -29.83 16.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.936 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.7 HD12 HD12 ' A' ' 19' ' ' ILE . 10.5 tt -70.69 -54.07 13.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.951 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.614 ' HA ' HD12 ' A' ' 28' ' ' LEU . 7.7 t -53.03 -26.52 15.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.147 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -96.96 -20.76 17.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.29 18.13 10.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.614 HD12 ' HA ' ' A' ' 25' ' ' THR . 2.1 mt -98.9 -55.65 2.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 18.0 ptt-85 -53.68 -35.36 60.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.413 HG23 ' N ' ' A' ' 31' ' ' LEU . 6.7 t -56.83 -42.58 79.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.086 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.413 ' N ' HG23 ' A' ' 30' ' ' THR . 12.2 mt -69.13 -22.65 63.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.897 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 122.53 47.74 0.27 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.518 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.6 m -109.19 169.57 8.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.958 0.409 . . . . 0.0 110.821 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.9 5.73 4.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.127 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 88.9 p -125.08 37.1 4.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.841 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.23 -37.8 28.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.112 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -86.57 -0.7 56.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -85.78 -52.26 5.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.44 HG22 ' HB2' ' A' ' 43' ' ' MET . 4.2 p -81.76 -15.76 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.156 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -24.62 9.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.13 16.42 8.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 46.6 mtp -131.63 4.35 4.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.479 ' HG2' HD11 ' A' ' 21' ' ' LEU . 10.8 tpp -77.16 -26.28 52.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.59 9.45 21.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -131.45 18.01 4.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.682 HD12 ' OD2' ' A' ' 47' ' ' ASP . 1.0 OUTLIER -128.58 -36.53 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.157 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.682 ' OD2' HD12 ' A' ' 46' ' ' ILE . 41.6 m-20 -154.76 -67.73 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.555 HG21 HD12 ' A' ' 21' ' ' LEU . 20.9 m -47.33 119.35 2.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -70.51 -27.51 64.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.798 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 150.46 -16.08 0.98 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.511 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -50.57 -41.7 54.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.842 0.353 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 103.25 23.4 8.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.497 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -149.77 173.05 14.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.856 0.36 . . . . 0.0 110.859 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.644 HD12 ' HB2' ' A' ' 59' ' ' PHE . 4.9 pt -153.19 133.28 3.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -72.14 -65.73 0.74 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -162.22 -53.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -57.36 -45.71 84.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -62.92 -16.7 60.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.644 ' HB2' HD12 ' A' ' 54' ' ' ILE . 13.9 t80 -92.16 -35.25 13.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 36.8 mm -74.64 -35.79 38.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.121 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -49.58 -61.13 2.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.805 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.652 ' CB ' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -69.1 -13.85 62.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.91 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 36.3 t -80.75 56.9 2.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 37.7 m-20 -52.94 -38.95 62.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 48.16 32.5 3.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.566 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -82.16 -66.55 0.22 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.606 0.717 . . . . 0.0 110.902 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.566 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.8 Cg_endo -69.7 -10.03 27.59 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.681 2.254 . . . . 0.0 112.382 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 97.74 38.54 4.13 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.498 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.563 HD23 ' HG2' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -89.4 -29.21 19.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.819 0.342 . . . . 0.0 110.911 -179.911 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.465 ' HG2' ' HG ' ' A' ' 69' ' ' LEU . 56.6 mmm -111.28 -22.34 11.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 35.8 tttt -80.52 -31.78 37.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.425 ' O ' HG23 ' A' ' 76' ' ' VAL . 4.3 t70 -100.93 26.85 6.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.823 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -123.55 -28.21 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.087 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.506 ' HB1' ' HB3' ' A' ' 6' ' ' ARG . . . -81.79 -10.98 59.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -104.19 -23.8 13.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 72' ' ' ASP . 54.8 t -51.8 -67.92 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 11.8 t80 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.981 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.818 0.342 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -121.79 162.42 20.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 77.9 m-20 -124.91 -35.35 2.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -125.76 -30.47 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -57.11 -32.45 66.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.0 tpp85 -72.28 -24.27 61.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.86 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.2 mt -89.23 -49.57 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -52.31 -58.46 6.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -55.87 -31.62 62.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.58 -31.35 70.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.442 ' C ' HG22 ' A' ' 19' ' ' ILE . 37.4 m-85 -99.67 0.84 42.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -110.56 38.0 2.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.7 p -73.51 -34.69 65.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -50.6 -30.72 13.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 94.72 -16.32 61.48 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.515 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -56.08 -24.88 42.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.853 0.358 . . . . 0.0 110.842 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 106.81 -39.22 2.96 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.461 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -92.2 168.49 11.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 0.0 110.829 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.576 HD12 HD12 ' A' ' 24' ' ' LEU . 27.8 pt -127.25 133.15 68.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.513 ' HG ' ' HE2' ' A' ' 53' ' ' PHE . 0.9 OUTLIER -67.96 97.86 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.813 -179.892 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.432 HD21 ' N ' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -49.07 -44.15 41.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.937 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.3 t -48.63 -30.36 5.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 -90.51 -30.11 17.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.576 HD12 HD12 ' A' ' 19' ' ' ILE . 10.4 tt -71.63 -54.84 9.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.67 ' HA ' HD12 ' A' ' 28' ' ' LEU . 12.8 t -52.99 -27.78 20.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -93.61 -22.75 18.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.62 20.67 7.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.115 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.67 HD12 ' HA ' ' A' ' 25' ' ' THR . 2.5 mt -101.2 -49.5 4.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.28 -44.72 68.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.82 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.2 t -62.98 -16.22 58.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.649 HD22 ' HA ' ' A' ' 77' ' ' PHE . 26.9 mt -109.0 25.69 11.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 59.62 74.89 0.31 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.466 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.2 m -116.56 175.2 5.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.96 0.409 . . . . 0.0 110.848 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.6 p -49.44 -67.98 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.168 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.537 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 2.9 m -147.1 -43.53 0.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.582 ' HB1' ' O ' ' A' ' 25' ' ' THR . . . 73.36 -0.71 3.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.056 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -108.45 -5.89 16.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -85.03 -56.49 3.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.412 ' O ' HG22 ' A' ' 39' ' ' VAL . 3.6 p -76.9 -16.93 14.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.184 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.9 -28.09 8.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.72 16.14 11.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 8.8 mtt -138.15 17.36 2.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.559 ' SD ' HD11 ' A' ' 46' ' ' ILE . 14.5 tpt -81.09 -22.31 39.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.59 -4.96 52.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -109.11 12.52 25.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.559 HD11 ' SD ' ' A' ' 43' ' ' MET . 1.1 pt -117.93 -18.86 6.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -179.35 -62.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.6 m -49.42 120.12 3.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.101 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -62.38 -33.53 74.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 149.6 -14.77 1.07 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.454 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -49.49 -35.3 19.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.807 0.337 . . . . 0.0 110.829 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.84 22.12 11.37 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.459 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.513 ' HE2' ' HG ' ' A' ' 20' ' ' SER . 83.3 m-85 -146.78 170.84 16.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.859 0.362 . . . . 0.0 110.887 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.627 HD12 ' HB2' ' A' ' 59' ' ' PHE . 3.3 pt -154.48 129.7 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -63.61 -73.41 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -156.69 -54.11 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -54.76 -48.51 72.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.409 ' CB ' HG22 ' A' ' 54' ' ' ILE . 1.4 mt-10 -63.11 -25.51 68.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.627 ' HB2' HD12 ' A' ' 54' ' ' ILE . 6.5 t80 -79.59 -36.19 38.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 35.4 mm -78.73 -23.42 13.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.13 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 83.9 p -51.04 -51.28 54.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.452 ' HB3' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -93.1 -23.9 18.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 48.9 t -90.45 63.35 5.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -90.0 -13.28 36.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.746 ' HB2' ' HB2' ' A' ' 70' ' ' MET . . . 45.74 52.32 9.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.098 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.574 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -79.08 -66.66 0.27 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.652 0.739 . . . . 0.0 110.903 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.574 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.3 Cg_endo -69.73 -10.27 28.16 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.725 2.284 . . . . 0.0 112.318 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.89 37.62 3.86 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.533 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.682 HD12 ' CE ' ' A' ' 70' ' ' MET . 0.6 OUTLIER -89.31 -32.46 17.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.79 0.329 . . . . 0.0 110.886 -179.905 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.746 ' HB2' ' HB2' ' A' ' 65' ' ' ALA . 8.1 mmt -109.2 -21.3 12.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.504 ' HB3' ' HB1' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -75.62 -28.41 58.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.909 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -104.69 25.22 10.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -124.04 -30.31 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.401 ' HB2' ' O ' ' A' ' 3' ' ' ASP . . . -54.91 -30.49 58.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.8 -13.65 31.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.459 HG12 ' N ' ' A' ' 77' ' ' PHE . 5.9 t -88.05 160.99 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.08 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.649 ' HA ' HD22 ' A' ' 31' ' ' LEU . 36.7 m-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.813 0.339 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -64.94 163.38 14.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 27.6 m-20 -134.22 -44.03 0.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -121.52 -28.23 4.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -69.3 -15.41 63.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.9 tpp85 -88.67 -17.24 30.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.554 HG22 ' CE2' ' A' ' 11' ' ' PHE . 0.9 OUTLIER -105.85 -39.83 5.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -53.53 -64.16 0.91 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp -55.73 -35.49 66.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -56.83 -48.75 77.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.554 ' CE2' HG22 ' A' ' 7' ' ' ILE . 39.7 m-85 -78.99 -23.25 44.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -81.02 57.5 3.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.4 p -97.65 32.8 2.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -109.14 -69.71 0.85 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -174.61 51.51 0.14 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.542 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.8 t70 51.46 38.98 23.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.83 0.348 . . . . 0.0 110.825 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -112.78 -85.97 1.5 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.464 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 mtmm -135.79 174.99 10.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.773 0.32 . . . . 0.0 110.876 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.668 HD12 HD12 ' A' ' 24' ' ' LEU . 25.9 pt -127.15 138.15 55.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.414 ' CB ' ' HB2' ' A' ' 23' ' ' GLU . 45.9 m -52.7 113.96 1.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.549 ' CD2' ' C ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -67.51 -66.45 0.56 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.0 t -47.87 -21.13 0.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.414 ' HB2' ' CB ' ' A' ' 20' ' ' SER . 29.0 mm-40 -89.71 -30.73 17.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.668 HD12 HD12 ' A' ' 19' ' ' ILE . 10.4 tt -70.0 -54.46 13.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.591 ' HA ' HD12 ' A' ' 28' ' ' LEU . 15.4 t -53.06 -25.6 13.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.113 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -97.53 -20.71 17.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.17 17.7 10.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.591 HD12 ' HA ' ' A' ' 25' ' ' THR . 2.2 mt -99.32 -55.99 2.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.952 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.492 ' CD ' ' HB3' ' A' ' 36' ' ' ALA . 1.6 mtp85 -52.72 -34.41 52.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.412 HG23 ' N ' ' A' ' 31' ' ' LEU . 6.6 t -58.45 -42.38 87.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.412 ' N ' HG23 ' A' ' 30' ' ' THR . 11.9 mt -69.08 -22.36 64.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.972 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 115.03 55.84 0.37 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.521 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.4 p -113.99 178.73 4.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.936 0.398 . . . . 0.0 110.85 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.75 9.99 2.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.174 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.1 t -131.78 45.78 2.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.492 ' HB3' ' CD ' ' A' ' 29' ' ' ARG . . . -92.54 -37.52 12.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.102 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.6 -1.45 57.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -85.87 -52.35 5.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.424 HG22 ' HB2' ' A' ' 43' ' ' MET . 3.1 p -80.7 -16.55 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.576 ' HG2' HG21 ' A' ' 25' ' ' THR . 0.0 OUTLIER -51.59 -26.74 9.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.33 15.37 10.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 7.5 mmm -130.5 3.42 4.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.424 ' HB2' HG22 ' A' ' 39' ' ' VAL . 26.7 tpp -75.83 -25.77 56.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.44 11.68 18.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.05 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -133.19 17.75 4.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.697 HD12 ' OD2' ' A' ' 47' ' ' ASP . 0.9 OUTLIER -126.79 -35.96 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.146 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.697 ' OD2' HD12 ' A' ' 46' ' ' ILE . 31.0 m-20 -155.18 -65.13 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.75 117.09 2.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -73.5 -19.69 60.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 142.71 -10.42 2.38 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.464 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -48.27 -34.87 11.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.904 0.383 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 101.28 -3.06 54.48 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.492 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -137.35 175.82 9.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.818 0.342 . . . . 0.0 110.877 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.658 HD12 ' HB2' ' A' ' 59' ' ' PHE . 6.8 pt -147.31 134.08 13.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -72.93 -64.39 0.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -166.02 -52.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -54.55 -43.11 71.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -70.03 -15.86 63.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.658 ' HB2' HD12 ' A' ' 54' ' ' ILE . 7.2 t80 -91.18 -34.97 14.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 36.8 mm -78.68 -34.34 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 t -50.49 -60.22 3.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.648 ' CB ' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -68.13 -13.57 62.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.843 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 23.9 t -81.28 56.16 2.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 55.4 m-20 -54.15 -38.76 65.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 51.11 30.81 5.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.552 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -81.88 -65.85 0.24 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.602 0.715 . . . . 0.0 110.883 -179.915 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.552 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.8 Cg_endo -69.74 -9.79 26.98 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.736 2.29 . . . . 0.0 112.322 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 97.52 33.72 5.8 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.448 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.551 HD23 ' HG2' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -84.54 -28.3 26.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.791 0.329 . . . . 0.0 110.861 -179.922 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.418 ' HG2' ' HG ' ' A' ' 69' ' ' LEU . 10.8 mmt -110.47 -21.96 11.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -81.55 -31.51 32.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -99.78 30.35 3.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.867 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -129.85 -28.26 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.431 ' HB2' HD11 ' A' ' 7' ' ' ILE . . . -86.75 1.37 52.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.058 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.17 -11.8 8.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 72.9 t -64.94 -74.46 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 3.2 t80 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.75 0.31 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -78.95 166.66 22.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -120.45 -35.36 3.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.98 -30.53 3.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -53.79 -49.39 68.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.2 tpp180 -52.02 -26.0 9.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.882 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.592 HG22 ' CE2' ' A' ' 11' ' ' PHE . 0.8 OUTLIER -91.72 -48.37 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -50.76 -41.06 56.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -67.37 -32.16 72.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.933 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.17 -42.88 75.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.592 ' CE2' HG22 ' A' ' 7' ' ' ILE . 40.9 m-85 -78.68 -27.46 45.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.429 ' HA ' HG22 ' A' ' 19' ' ' ILE . 36.1 t0 -89.66 53.14 2.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.3 p -113.47 18.16 17.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.16 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -75.76 -48.1 23.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 120.08 11.25 7.01 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.461 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -115.67 -60.97 1.81 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.827 0.346 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 162.46 -53.52 0.31 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.493 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.0 mttm -68.7 -172.73 0.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.743 0.306 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.429 HG22 ' HA ' ' A' ' 12' ' ' ASP . 34.1 pt -146.01 148.98 16.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.123 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.7 m -65.42 83.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.713 ' O ' HD22 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -54.06 -44.69 71.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.499 ' N ' HD13 ' A' ' 21' ' ' LEU . 62.0 p -56.49 -11.55 1.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -105.59 -13.23 15.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.507 ' CD2' HD11 ' A' ' 28' ' ' LEU . 10.5 tt -71.8 -52.16 18.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.722 ' OG1' HG13 ' A' ' 39' ' ' VAL . 11.9 t -55.15 -25.11 30.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -97.95 -20.88 17.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -92.83 15.96 13.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.077 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.6 HD12 ' HA ' ' A' ' 25' ' ' THR . 2.0 mt -96.79 -55.33 2.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.7 ttp85 -55.13 -35.32 64.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.83 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.0 t -64.14 -15.58 60.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 24.1 mt -104.75 15.74 27.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.0 52.85 3.32 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.461 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.5 m -118.42 156.47 28.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.917 0.389 . . . . 0.0 110.883 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.73 3.55 10.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.3 t -126.45 53.17 1.67 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.818 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.07 -36.78 12.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.077 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.423 ' HA ' ' HB2' ' A' ' 40' ' ' GLN . 69.0 m-20 -70.96 -30.62 66.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -55.7 -55.01 37.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.722 HG13 ' OG1' ' A' ' 25' ' ' THR . 6.2 p -75.82 -23.18 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.423 ' HB2' ' HA ' ' A' ' 37' ' ' ASP . 0.1 OUTLIER -53.89 -23.97 14.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -121.94 15.74 10.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.646 ' O ' HG23 ' A' ' 46' ' ' ILE . 13.7 mtt -144.84 19.5 1.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.703 ' HB2' HD11 ' A' ' 21' ' ' LEU . 4.5 ptt? -76.67 -26.93 55.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -97.69 5.75 48.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.085 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -119.36 -10.57 9.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.937 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.646 HG23 ' O ' ' A' ' 42' ' ' MET . 1.3 pt -79.35 -26.39 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.14 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.0 -45.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 89.6 m -50.54 118.64 3.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -51.95 -75.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -172.56 42.39 0.17 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.512 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -113.42 -38.0 4.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.804 0.335 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.03 23.03 9.45 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.499 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -145.17 173.22 12.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.818 0.342 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.692 HD12 ' HB2' ' A' ' 59' ' ' PHE . 5.7 pt -152.95 164.51 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.155 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -101.66 -66.69 0.9 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -162.55 -49.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -56.71 -54.34 47.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -62.37 -21.82 65.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.692 ' HB2' HD12 ' A' ' 54' ' ' ILE . 6.7 t80 -79.35 -36.54 39.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.412 ' HA ' ' HB2' ' A' ' 63' ' ' CYS . 46.9 mm -79.6 -19.63 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.37 -46.27 80.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -94.94 -20.16 19.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.412 ' HB2' ' HA ' ' A' ' 60' ' ' ILE . 55.9 m -88.33 50.47 1.98 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -82.7 -11.71 58.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.813 ' HB2' ' HB2' ' A' ' 70' ' ' MET . . . 50.03 62.72 2.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.565 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -83.97 -66.52 0.21 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.61 0.719 . . . . 0.0 110.88 -179.91 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.64 ' HG2' HD23 ' A' ' 69' ' ' LEU . 53.6 Cg_endo -69.75 -36.75 10.24 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.691 2.261 . . . . 0.0 112.354 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 132.52 36.38 0.29 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.474 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.64 HD23 ' HG2' ' A' ' 67' ' ' PRO . 0.6 OUTLIER -86.96 -31.84 20.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.801 0.334 . . . . 0.0 110.918 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.813 ' HB2' ' HB2' ' A' ' 65' ' ' ALA . 48.4 mmm -108.06 -21.66 12.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -77.72 -26.35 49.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -116.3 40.54 2.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -137.58 -31.97 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.6 -20.96 23.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.079 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.16 -9.28 16.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.474 HG12 ' N ' ' A' ' 77' ' ' PHE . 12.6 t -88.7 160.52 2.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.474 ' N ' HG12 ' A' ' 76' ' ' VAL . 56.6 t80 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.511 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 74.2 m-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.807 0.336 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -119.78 -30.04 4.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -57.38 -31.68 66.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.581 ' HB3' ' HB1' ' A' ' 74' ' ' ALA . 20.0 tpp180 -69.8 -17.69 63.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.538 HG22 ' CE2' ' A' ' 11' ' ' PHE . 1.0 OUTLIER -103.45 -40.11 6.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.182 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -54.23 -63.22 1.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -55.66 -26.7 45.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -67.62 -48.52 66.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.538 ' CE2' HG22 ' A' ' 7' ' ' ILE . 42.5 m-85 -78.94 -22.78 45.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.912 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -81.72 57.18 3.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 -179.88 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 48.1 mttt -91.54 168.44 11.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.83 0.348 . . . . 0.0 110.855 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.546 HD12 HD12 ' A' ' 24' ' ' LEU . 26.4 pt -124.41 133.68 68.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.179 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.509 ' HG ' ' HE2' ' A' ' 53' ' ' PHE . 0.7 OUTLIER -67.67 99.77 0.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.825 -179.858 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.446 HD11 HG21 ' A' ' 48' ' ' THR . 0.0 OUTLIER -49.09 -46.02 44.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 88.6 p -49.63 -30.27 8.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -87.91 -31.71 19.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.546 HD12 HD12 ' A' ' 19' ' ' ILE . 10.4 tt -71.75 -54.32 10.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.626 ' HA ' HD12 ' A' ' 28' ' ' LEU . 10.2 t -54.05 -25.3 20.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -97.91 -18.75 18.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.825 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.52 18.79 13.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.102 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.626 HD12 ' HA ' ' A' ' 25' ' ' THR . 1.8 mt -98.56 -59.91 1.65 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.463 ' NH1' ' HB3' ' A' ' 36' ' ' ALA . 4.1 mtm-85 -55.24 -34.67 64.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.8 t -62.47 -16.53 55.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.162 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.2 mt -95.45 -20.02 19.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 130.97 1.88 4.85 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.543 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 p -59.91 -169.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.929 0.395 . . . . 0.0 110.882 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.58 -50.6 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.158 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 p -87.55 53.69 2.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.463 ' HB3' ' NH1' ' A' ' 29' ' ' ARG . . . -79.64 -34.59 40.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.082 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.413 ' HA ' ' HB2' ' A' ' 40' ' ' GLN . 31.2 t70 -71.35 -22.54 61.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -55.39 -30.6 60.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.4 p -112.48 -22.26 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.413 ' HB2' ' HA ' ' A' ' 37' ' ' ASP . 0.5 OUTLIER -54.62 -23.84 18.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.924 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.67 6.02 11.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.53 ' O ' HG23 ' A' ' 46' ' ' ILE . 6.8 mtm -137.86 28.02 2.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.2 ptt? -83.52 -12.43 56.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.915 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -107.2 3.19 25.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -118.99 -8.74 10.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.53 HG23 ' O ' ' A' ' 42' ' ' MET . 1.3 pt -81.95 -28.31 9.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 178.93 -47.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.446 HG21 HD11 ' A' ' 21' ' ' LEU . 92.1 m -48.7 124.16 7.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.186 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -63.51 -37.39 87.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 155.83 -18.91 0.49 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.526 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -49.55 -45.29 47.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.856 0.36 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.96 22.44 6.59 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.492 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.509 ' HE2' ' HG ' ' A' ' 20' ' ' SER . 81.1 m-85 -145.0 170.88 15.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.834 0.349 . . . . 0.0 110.87 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.646 HD12 ' HA ' ' A' ' 59' ' ' PHE . 4.4 pt -154.57 134.85 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.132 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -71.54 -71.72 0.25 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -157.54 -52.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.71 -45.7 74.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -72.67 -22.82 60.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.646 ' HA ' HD12 ' A' ' 54' ' ' ILE . 10.0 t80 -77.21 -36.2 55.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 27.7 mm -78.85 -24.07 13.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.2 m -60.16 -24.28 64.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -102.19 -18.76 15.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 89.3 m -84.64 53.85 2.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -52.91 -39.22 62.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.502 ' HB2' ' HB2' ' A' ' 70' ' ' MET . . . 54.76 27.95 9.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.08 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.529 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -78.87 -64.59 0.35 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.606 0.717 . . . . 0.0 110.897 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.529 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.5 Cg_endo -69.76 -10.45 28.58 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.695 2.263 . . . . 0.0 112.359 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 101.62 26.23 7.74 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.469 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.519 HD23 ' HG2' ' A' ' 67' ' ' PRO . 0.6 OUTLIER -77.93 -25.85 48.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.788 0.328 . . . . 0.0 110.956 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.502 ' HB2' ' HB2' ' A' ' 65' ' ' ALA . 21.2 mmt -117.67 -22.23 8.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -76.15 -18.45 59.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -131.01 41.64 3.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.892 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -131.98 -29.28 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.581 ' HB1' ' HB3' ' A' ' 6' ' ' ARG . . . -80.05 -5.03 55.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.109 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.23 -14.7 10.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.5 t -51.42 -73.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 14.1 t80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.971 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.818 0.342 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -121.48 -27.23 4.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.2 mp0 -68.94 -30.57 69.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.494 ' HB3' ' HB1' ' A' ' 74' ' ' ALA . 12.8 tpt180 -69.25 -22.09 63.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.562 HG22 ' CE2' ' A' ' 11' ' ' PHE . 1.1 mt -96.53 -48.74 12.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.164 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -50.87 -57.97 7.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -56.39 -31.82 64.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -31.32 71.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.562 ' CE2' HG22 ' A' ' 7' ' ' ILE . 33.4 m-85 -99.67 1.33 43.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -113.07 58.4 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.828 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.1 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.138 -179.888 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -138.7 168.67 19.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.757 0.313 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.425 HG12 HG13 ' A' ' 54' ' ' ILE . 23.9 pt -127.21 135.11 64.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.56 100.01 0.83 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.521 HD13 ' HG2' ' A' ' 43' ' ' MET . 0.0 OUTLIER -49.28 -47.09 47.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.6 t -50.03 -30.36 10.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -84.41 -31.89 24.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.946 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.524 ' CD2' HD11 ' A' ' 28' ' ' LEU . 10.4 tt -72.32 -54.83 8.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.654 ' HA ' HD12 ' A' ' 28' ' ' LEU . 9.5 t -53.39 -26.69 20.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -95.86 -20.28 18.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.18 21.89 8.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.064 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.654 HD12 ' HA ' ' A' ' 25' ' ' THR . 1.9 mt -101.46 -55.65 2.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.925 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -55.45 -30.82 61.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.411 HG23 ' N ' ' A' ' 31' ' ' LEU . 7.7 t -64.15 -41.65 97.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.411 ' N ' HG23 ' A' ' 30' ' ' THR . 13.3 mt -67.38 -22.53 65.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.508 ' HA3' HG11 ' A' ' 76' ' ' VAL . . . 151.21 -27.09 0.99 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.46 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.31 169.87 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.963 0.411 . . . . 0.0 110.843 -179.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.75 -51.11 0.79 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.122 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.2 t -88.68 50.32 1.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.82 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.55 -20.19 64.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.149 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.413 ' HA ' ' CB ' ' A' ' 40' ' ' GLN . 8.1 t70 -72.05 -8.24 53.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.866 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -52.76 -29.7 28.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.0 p -124.97 -19.18 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.134 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.413 ' CB ' ' HA ' ' A' ' 37' ' ' ASP . 4.5 tm0? -53.69 -24.06 13.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -104.89 -8.98 18.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.4 mtt -138.48 49.38 1.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.521 ' HG2' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -98.43 -23.78 15.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -97.58 -2.09 42.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.08 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -111.41 16.6 20.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -116.86 -22.79 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.119 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 179.71 -53.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.497 HG21 HD11 ' A' ' 21' ' ' LEU . 21.8 m -48.93 114.34 0.97 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.86 -52.39 60.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 168.09 -23.33 0.11 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.486 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -46.05 -35.44 4.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.835 0.35 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 101.41 23.01 9.85 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.457 ' N ' HD21 ' A' ' 21' ' ' LEU . 84.3 m-85 -143.53 171.58 13.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.803 0.335 . . . . 0.0 110.903 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.622 HD12 ' HB2' ' A' ' 59' ' ' PHE . 3.1 pt -153.66 132.53 3.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.161 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -65.34 -73.86 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -156.74 -52.92 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.855 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -54.74 -49.68 70.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -62.56 -24.71 67.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.622 ' HB2' HD12 ' A' ' 54' ' ' ILE . 23.2 t80 -81.7 -35.56 29.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 47.1 mm -81.04 -26.68 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.155 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.5 t -51.57 -53.94 32.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -77.91 -11.93 59.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 27.9 t -80.23 57.21 2.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -52.37 -39.84 61.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 48.5 33.63 4.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.073 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.553 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 1.8 m-80 -86.14 -65.46 0.2 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.617 0.722 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.556 ' HG2' HD23 ' A' ' 69' ' ' LEU . 53.4 Cg_endo -69.75 -36.16 11.35 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.697 2.265 . . . . 0.0 112.306 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 132.06 29.37 0.56 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.516 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.556 HD23 ' HG2' ' A' ' 67' ' ' PRO . 0.5 OUTLIER -80.1 -29.1 38.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.788 0.328 . . . . 0.0 110.929 -179.922 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 8.1 mmt -116.66 -21.53 9.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 52.4 tttt -79.11 -18.76 52.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -125.75 44.92 2.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -136.59 -30.84 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.494 ' HB1' ' HB3' ' A' ' 6' ' ' ARG . . . -85.28 -1.69 57.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.87 -15.79 8.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.508 HG11 ' HA3' ' A' ' 32' ' ' GLY . 75.1 t -51.54 -73.58 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.152 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 22.8 t80 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 179.975 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.404 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.839 0.352 . . . . 0.0 110.889 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.01 -20.25 5.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -76.01 -29.55 58.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.451 ' HB3' ' HB1' ' A' ' 74' ' ' ALA . 21.8 tpp180 -69.66 -23.42 63.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.582 HG22 ' CE2' ' A' ' 11' ' ' PHE . 1.2 mt -92.16 -48.4 13.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -50.78 -52.18 43.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -56.3 -27.29 55.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.64 -46.85 35.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.582 ' CE2' HG22 ' A' ' 7' ' ' ILE . 43.3 m-85 -72.81 -29.37 63.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -81.06 57.79 3.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.113 -179.871 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.0 mttp -135.31 148.87 49.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.734 0.302 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.542 HD12 HD12 ' A' ' 24' ' ' LEU . 24.0 pt -118.42 133.27 65.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.18 102.44 1.04 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.664 ' O ' HG22 ' A' ' 25' ' ' THR . 0.0 OUTLIER -49.1 -44.13 41.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 t -49.11 -29.77 5.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -88.71 -31.43 18.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.55 HD11 ' HE1' ' A' ' 59' ' ' PHE . 10.2 tt -74.5 -56.5 4.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.69 ' HA ' HD12 ' A' ' 28' ' ' LEU . 6.4 t -52.44 -28.34 19.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.165 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -90.72 -23.74 20.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.87 25.74 3.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.109 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.69 HD12 ' HA ' ' A' ' 25' ' ' THR . 3.0 mt -107.23 -48.52 3.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -16.53 60.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.436 HG23 ' N ' ' A' ' 31' ' ' LEU . 9.9 t -80.18 -42.29 23.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.436 ' N ' HG23 ' A' ' 30' ' ' THR . 14.1 mt -69.96 -22.84 63.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 127.72 33.97 0.58 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.512 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 72.9 m -83.03 -174.17 5.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.934 0.397 . . . . 0.0 110.869 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.36 -49.04 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.131 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.07 16.7 5.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.84 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.31 -36.82 44.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.134 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.475 ' HA ' ' HB2' ' A' ' 40' ' ' GLN . 11.5 t70 -76.15 -28.01 57.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -54.37 -30.2 51.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.487 HG11 ' HE2' ' A' ' 62' ' ' PHE . 4.6 p -109.55 -21.76 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.15 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.475 ' HB2' ' HA ' ' A' ' 37' ' ' ASP . 1.2 tm0? -53.5 -24.49 13.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.58 15.87 13.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 8.6 mtm -150.61 30.04 0.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.63 ' HG2' HD13 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -89.11 -20.59 24.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -95.95 9.89 39.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.91 17.16 6.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.557 HD13 ' HB2' ' A' ' 62' ' ' PHE . 1.1 pt -115.24 -23.87 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.154 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.68 -45.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.61 HG21 HD11 ' A' ' 21' ' ' LEU . 30.2 m -50.5 112.72 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -119.7 -15.72 8.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -65.72 -114.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.515 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -122.56 -5.87 8.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.841 0.353 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 138.96 41.76 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.457 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.475 ' N ' HD21 ' A' ' 21' ' ' LEU . 51.6 m-85 -141.23 172.18 13.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 110.848 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.655 HD12 ' HB2' ' A' ' 59' ' ' PHE . 4.6 pt -150.82 124.99 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.171 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -56.79 -72.07 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -162.62 -51.48 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -56.0 -45.48 79.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -62.29 -31.0 71.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.655 ' HB2' HD12 ' A' ' 54' ' ' ILE . 33.6 t80 -71.6 -35.0 70.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 24.9 mm -79.29 -28.48 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.109 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.6 t -59.75 -55.33 35.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.827 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.557 ' HB2' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -69.97 -12.19 61.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.877 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 1.7 m -81.36 57.08 3.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -51.05 -40.95 59.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.641 ' HB1' ' HB2' ' A' ' 71' ' ' LYS . . . 47.42 47.73 16.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.569 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.9 OUTLIER -88.46 -66.79 0.15 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.598 0.713 . . . . 0.0 110.89 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.569 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.9 Cg_endo -69.73 -38.16 8.24 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.659 2.239 . . . . 0.0 112.347 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 136.05 37.8 0.18 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.511 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.592 HD12 ' HE3' ' A' ' 70' ' ' MET . 0.6 OUTLIER -96.35 -27.51 14.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 0.0 110.9 -179.895 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.592 ' HE3' HD12 ' A' ' 69' ' ' LEU . 6.4 mmt -125.25 -2.13 7.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.641 ' HB2' ' HB1' ' A' ' 65' ' ' ALA . 35.8 tttm -98.31 -22.32 16.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.45 ' O ' HG23 ' A' ' 76' ' ' VAL . 0.4 OUTLIER -141.88 52.81 1.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -124.21 -27.57 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.451 ' HB1' ' HB3' ' A' ' 6' ' ' ARG . . . -83.85 -1.19 53.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.96 -9.82 9.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 72' ' ' ASP . 24.7 t -55.04 -63.02 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.783 0.325 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -128.79 -32.2 2.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -58.01 -32.05 67.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.879 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -70.75 -24.28 62.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.477 HG22 ' CE2' ' A' ' 11' ' ' PHE . 1.7 mt -91.06 -49.25 13.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.165 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -52.98 -41.12 64.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.9 mmtt -67.96 -29.3 68.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -72.57 -43.51 63.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.942 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.477 ' CE2' HG22 ' A' ' 7' ' ' ILE . 42.0 m-85 -79.02 -22.02 46.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -95.41 20.87 8.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.5 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.127 -179.871 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.0 mttm -91.04 168.1 11.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.75 0.31 . . . . 0.0 110.937 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.62 HD12 HD12 ' A' ' 24' ' ' LEU . 28.6 pt -127.13 133.43 68.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.1 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.81 95.88 0.54 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.478 HD21 ' N ' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -45.51 -44.42 12.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.902 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.4 t -47.1 -44.05 20.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -77.78 -27.97 50.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.62 HD12 HD12 ' A' ' 19' ' ' ILE . 10.3 tt -70.79 -55.32 8.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.675 ' OG1' HG13 ' A' ' 39' ' ' VAL . 7.1 t -54.04 -25.6 22.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -96.57 -18.67 19.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.825 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -100.31 24.79 8.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.671 HD12 ' HA ' ' A' ' 25' ' ' THR . 3.2 mt -102.76 -51.71 3.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.46 -35.28 12.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.408 HG23 ' N ' ' A' ' 31' ' ' LEU . 7.1 t -65.41 -41.68 93.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.408 ' N ' HG23 ' A' ' 30' ' ' THR . 15.7 mt -67.86 -21.79 65.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 124.24 -29.2 5.13 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.53 157.94 0.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.935 0.397 . . . . 0.0 110.859 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -115.68 4.36 14.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.145 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.7 p -97.95 46.47 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.87 -55.65 3.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.088 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -76.66 -3.14 36.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -86.53 -21.99 26.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.675 HG13 ' OG1' ' A' ' 25' ' ' THR . 3.8 p -116.7 -20.84 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -54.05 -24.73 18.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.37 5.63 13.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.5 mtt -141.24 34.44 1.7 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.9 ptt? -88.09 -19.24 27.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -101.43 5.75 42.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.125 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -127.08 22.72 6.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.1 pt -115.53 -26.25 2.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 179.66 -54.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.446 HG21 ' HA2' ' A' ' 52' ' ' GLY . 13.6 m -50.18 126.45 14.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -119.8 -16.94 8.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -76.3 -128.5 0.29 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.48 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -84.87 -41.65 15.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.851 0.358 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.446 ' HA2' HG21 ' A' ' 48' ' ' THR . . . 156.89 56.53 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.462 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.478 ' N ' HD21 ' A' ' 21' ' ' LEU . 51.0 m-85 -141.63 170.71 15.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.793 0.33 . . . . 0.0 110.903 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.619 HD12 ' HB2' ' A' ' 59' ' ' PHE . 4.8 pt -154.12 126.6 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -61.15 -70.22 0.19 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -161.55 -48.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -56.16 -51.67 67.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -62.52 -27.88 69.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.619 ' HB2' HD12 ' A' ' 54' ' ' ILE . 9.5 t80 -72.07 -26.86 62.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 39.2 mm -85.12 -29.38 6.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 39.7 t -51.39 -55.03 20.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.83 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -77.25 -14.13 59.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 18.5 t -83.81 54.78 3.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -53.28 -39.9 64.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 49.68 41.77 22.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.122 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.565 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -85.89 -66.0 0.2 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.647 0.737 . . . . 0.0 110.922 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.565 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.5 Cg_endo -69.84 -36.86 9.82 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.614 2.209 . . . . 0.0 112.359 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 133.11 34.55 0.32 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.446 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.56 HD23 ' HG2' ' A' ' 67' ' ' PRO . 0.5 OUTLIER -82.68 -32.74 27.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.852 0.358 . . . . 0.0 110.933 -179.922 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.449 ' HE3' HD12 ' A' ' 69' ' ' LEU . 5.3 mmt -115.57 -21.7 9.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -82.82 -32.12 27.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -99.9 30.33 3.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.894 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.401 ' HA ' HG23 ' A' ' 76' ' ' VAL . 0.3 OUTLIER -129.27 -32.57 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.06 -29.74 63.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.8 mmmt -90.92 -14.08 32.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.458 HG12 ' H ' ' A' ' 77' ' ' PHE . 2.5 t -88.62 165.49 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.458 ' H ' HG12 ' A' ' 76' ' ' VAL . 14.9 t80 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.503 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 11.8 p-10 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.752 0.311 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -118.64 -26.56 6.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -58.25 -50.2 74.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 33.3 ttt85 -57.57 -24.28 55.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.884 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.406 HG22 ' CE2' ' A' ' 11' ' ' PHE . 2.0 mt -85.4 -51.04 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -51.27 -59.9 3.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -51.9 -30.98 26.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.58 -48.4 60.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.845 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.569 ' C ' HG22 ' A' ' 19' ' ' ILE . 39.4 m-85 -80.12 0.15 33.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -98.01 49.44 1.01 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.166 -179.883 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.1 mtmt -91.2 -178.55 5.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.789 0.328 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.569 HG22 ' C ' ' A' ' 11' ' ' PHE . 36.0 pt -145.21 134.64 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.04 104.05 1.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.462 ' O ' HG22 ' A' ' 25' ' ' THR . 0.0 OUTLIER -49.96 -49.26 50.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.92 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.9 t -50.59 -29.98 12.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.801 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -84.12 -31.43 25.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.51 ' CD2' HD11 ' A' ' 28' ' ' LEU . 10.4 tt -75.32 -55.33 5.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.954 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.645 ' HA ' HD12 ' A' ' 28' ' ' LEU . 9.2 t -53.13 -26.11 15.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -95.43 -22.23 17.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.414 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . . . -94.26 21.27 7.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.079 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.645 HD12 ' HA ' ' A' ' 25' ' ' THR . 1.8 mt -101.16 -52.14 3.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 44.7 ttt180 -57.05 -22.15 36.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.3 t -79.49 -15.02 58.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.2 mt -94.99 4.78 53.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.465 ' HA3' HG11 ' A' ' 76' ' ' VAL . . . 105.15 19.92 10.24 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.47 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 m -92.96 161.87 14.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.91 0.386 . . . . 0.0 110.827 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.38 9.19 3.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.103 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.2 m -132.65 36.49 3.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.827 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.562 ' HB1' ' O ' ' A' ' 25' ' ' THR . . . -81.97 -37.46 26.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.086 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.416 ' HA ' ' HB2' ' A' ' 40' ' ' GLN . 19.2 t70 -68.47 -26.55 65.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.823 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -55.3 -52.43 63.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.442 ' O ' HG22 ' A' ' 39' ' ' VAL . 5.9 p -85.72 -13.7 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.416 ' HB2' ' HA ' ' A' ' 37' ' ' ASP . 0.6 OUTLIER -61.67 -15.38 39.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.921 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.43 10.99 14.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.423 ' HG2' ' HA ' ' A' ' 39' ' ' VAL . 0.6 OUTLIER -145.39 15.05 1.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.467 ' O ' HD11 ' A' ' 46' ' ' ILE . 1.3 tpt -80.61 -17.21 52.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.892 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -100.13 10.37 41.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.124 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -137.53 25.94 2.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.698 HD12 ' N ' ' A' ' 47' ' ' ASP . 1.5 pp -121.16 -26.16 2.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.165 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.698 ' N ' HD12 ' A' ' 46' ' ' ILE . 7.4 m-20 -159.82 -61.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.8 m -49.89 136.97 17.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -78.53 -75.33 0.23 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -162.57 57.9 0.29 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.5 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -132.76 -53.44 0.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.852 0.358 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 116.49 22.24 4.48 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.472 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.451 ' N ' HD21 ' A' ' 21' ' ' LEU . 55.2 m-85 -143.11 172.14 13.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 110.864 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.599 HD12 ' HB2' ' A' ' 59' ' ' PHE . 5.0 pt -153.91 132.58 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.122 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -67.48 -70.03 0.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -160.18 -53.34 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -54.21 -43.34 70.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.23 -16.5 62.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.599 ' HB2' HD12 ' A' ' 54' ' ' ILE . 11.7 t80 -89.59 -21.75 22.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 33.1 mm -93.25 -30.8 4.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.168 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.3 t -50.15 -60.49 2.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -72.39 -22.9 61.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 17.2 t -90.01 87.28 6.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -101.01 -12.29 18.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.522 ' HB1' ' HB2' ' A' ' 71' ' ' LYS . . . 44.92 42.19 5.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.088 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.57 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -84.66 -66.94 0.2 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.592 0.711 . . . . 0.0 110.902 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.57 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.6 Cg_endo -69.76 -10.11 27.75 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.689 2.26 . . . . 0.0 112.366 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.03 35.35 4.83 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.607 HD12 ' HE3' ' A' ' 70' ' ' MET . 0.6 OUTLIER -89.45 -28.34 19.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.79 0.328 . . . . 0.0 110.97 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.607 ' HE3' HD12 ' A' ' 69' ' ' LEU . 7.1 mmt -116.66 -21.34 9.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.522 ' HB2' ' HB1' ' A' ' 65' ' ' ALA . 22.7 tptt -80.32 -29.97 38.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -106.53 34.59 3.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -126.95 -29.22 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.169 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.503 ' HB2' ' O ' ' A' ' 3' ' ' ASP . . . -86.92 1.37 52.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.109 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -116.87 -22.32 8.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.465 HG11 ' HA3' ' A' ' 32' ' ' GLY . 80.4 t -60.67 -73.94 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.148 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 7.9 t80 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.979 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 84.8 m-20 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.797 0.332 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.42 -31.72 3.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -57.46 -49.78 75.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.91 -27.36 18.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.475 HG22 ' CE2' ' A' ' 11' ' ' PHE . 1.4 mt -90.53 -37.16 9.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -66.74 -37.34 84.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.3 mtpp -74.24 -22.56 59.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.57 -44.01 25.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.475 ' CE2' HG22 ' A' ' 7' ' ' ILE . 42.2 m-85 -79.21 -22.26 45.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -81.92 57.11 3.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.109 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 41.6 mttt -91.33 166.86 12.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.735 0.302 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.453 HD11 ' CD1' ' A' ' 59' ' ' PHE . 29.9 pt -126.78 135.63 63.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.29 106.1 1.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.754 ' CD1' HG21 ' A' ' 48' ' ' THR . 0.0 OUTLIER -44.49 -50.47 9.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.933 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.6 t -49.24 -45.31 44.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.834 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -64.0 -30.94 71.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.512 ' CD2' HD11 ' A' ' 28' ' ' LEU . 9.9 tt -79.14 -58.37 3.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.73 ' OG1' HG13 ' A' ' 39' ' ' VAL . 11.1 t -54.49 -23.12 14.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -95.74 -18.6 20.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -103.62 28.47 6.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.069 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.713 HD21 ' HE1' ' A' ' 70' ' ' MET . 1.5 mt -105.93 -54.09 2.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.949 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.7 ttt-85 -56.71 -25.22 53.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.1 t -80.01 -15.82 56.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.121 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.3 mt -102.74 17.62 23.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.47 50.95 4.53 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.7 m -117.0 144.09 44.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.012 0.434 . . . . 0.0 110.856 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.86 -50.04 4.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.101 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.17 72.93 9.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -103.54 -53.18 2.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.137 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -61.93 -18.63 60.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -54.87 -29.45 55.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.73 HG13 ' OG1' ' A' ' 25' ' ' THR . 6.6 p -116.2 -23.22 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.131 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.7 tm0? -54.69 -23.01 15.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -117.62 10.14 13.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 11.0 mtt -147.18 31.55 0.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 11.4 ptt? -80.06 -26.18 39.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -91.78 15.15 13.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -138.82 26.46 2.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -118.63 -34.27 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -169.78 -64.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.754 HG21 ' CD1' ' A' ' 21' ' ' LEU . 9.9 t -48.18 164.31 0.05 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -152.13 -38.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -65.05 -146.07 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.447 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -49.15 -37.04 20.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.811 0.339 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 130.95 63.98 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.476 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -139.64 173.44 11.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.775 0.322 . . . . 0.0 110.888 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.702 HD12 ' HA ' ' A' ' 59' ' ' PHE . 6.6 pt -152.05 132.8 4.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.118 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -72.21 -59.28 2.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.413 ' CE1' HD11 ' A' ' 60' ' ' ILE . 13.9 t80 -169.04 -52.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -52.12 -45.27 64.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -73.72 -23.51 59.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.702 ' HA ' HD12 ' A' ' 54' ' ' ILE . 18.3 t80 -75.21 -35.31 61.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.413 HD11 ' CE1' ' A' ' 56' ' ' PHE . 27.2 mm -79.66 -30.45 13.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.1 t -52.22 -58.51 6.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.836 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -73.13 -14.67 61.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 30.4 t -79.93 57.82 2.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -52.85 -40.21 63.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 47.2 36.07 4.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.543 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 1.1 m-80 -84.88 -65.04 0.22 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.653 0.74 . . . . 0.0 110.926 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.543 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.6 Cg_endo -69.73 -37.21 9.55 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.638 2.225 . . . . 0.0 112.359 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 134.11 36.58 0.24 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.501 HD23 ' HG2' ' A' ' 67' ' ' PRO . 0.5 OUTLIER -85.37 -32.73 22.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.751 0.31 . . . . 0.0 110.874 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.713 ' HE1' HD21 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -119.45 -20.82 7.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.84 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -82.96 -31.78 27.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -105.36 34.94 3.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -132.48 -31.25 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.165 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 3' ' ' ASP . . . -57.48 -20.32 30.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.089 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.432 ' H ' ' HG3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -105.28 -9.84 17.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.478 HG12 ' N ' ' A' ' 77' ' ' PHE . 8.9 t -89.12 161.67 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.142 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.478 ' N ' HG12 ' A' ' 76' ' ' VAL . 32.0 p90 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.453 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 2.3 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.835 0.35 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -122.78 -27.51 4.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -68.74 -26.54 65.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -74.01 -22.1 59.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.9 mt -94.24 -52.25 9.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.161 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -52.0 -40.79 61.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -68.84 -30.7 69.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.937 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.3 -43.98 66.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -79.2 -22.08 45.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -78.78 57.55 2.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.8 p . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 -179.915 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.6 mttm -92.28 -173.82 3.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.811 0.339 . . . . 0.0 110.848 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.459 HD12 HD12 ' A' ' 24' ' ' LEU . 46.2 pt -145.71 137.52 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.28 100.46 0.63 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.528 HD21 HG21 ' A' ' 48' ' ' THR . 0.0 OUTLIER -44.54 -54.79 5.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.3 p -49.9 -44.63 50.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -63.87 -31.18 72.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.506 HD23 ' CD1' ' A' ' 28' ' ' LEU . 9.9 tt -78.7 -58.74 3.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.65 ' HA ' HD12 ' A' ' 28' ' ' LEU . 9.4 t -54.33 -22.84 13.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -96.68 -19.66 18.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -100.07 24.34 8.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.65 HD12 ' HA ' ' A' ' 25' ' ' THR . 1.9 mt -103.68 -57.74 1.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.738 ' HD3' ' HB3' ' A' ' 36' ' ' ALA . 0.6 OUTLIER -57.32 -21.9 38.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.4 t -79.57 -15.12 58.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.437 ' O ' HG11 ' A' ' 76' ' ' VAL . 33.7 mt -102.17 11.75 37.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.44 56.5 2.51 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.45 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.7 m -115.91 -169.62 1.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.943 0.402 . . . . 0.0 110.854 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.17 -50.2 0.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 m -87.53 72.14 9.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.738 ' HB3' ' HD3' ' A' ' 29' ' ' ARG . . . -114.65 -52.66 2.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.426 ' HA ' ' HB2' ' A' ' 40' ' ' GLN . 20.3 t0 -70.98 -26.02 62.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -56.55 -29.9 62.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.441 ' O ' HG22 ' A' ' 39' ' ' VAL . 4.8 p -112.87 -14.15 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.069 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.426 ' HB2' ' HA ' ' A' ' 37' ' ' ASP . 1.9 tm0? -61.73 -15.43 40.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.2 ptp85 -120.65 11.3 11.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.406 ' CG ' ' HA ' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -147.9 21.14 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.606 ' SD ' HG21 ' A' ' 25' ' ' THR . 2.1 ptt? -75.2 -22.86 57.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.41 16.47 11.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -138.55 22.51 2.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -116.59 -25.94 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -173.88 -49.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.528 HG21 HD21 ' A' ' 21' ' ' LEU . 2.4 m -54.89 103.32 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.102 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -55.44 -35.91 65.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 151.21 44.48 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.465 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -111.93 -10.53 13.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.807 0.337 . . . . 0.0 110.848 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 75.33 0.53 62.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.471 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.418 ' N ' HD21 ' A' ' 21' ' ' LEU . 70.1 m-85 -135.14 173.71 11.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 110.877 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.627 HD12 ' HB2' ' A' ' 59' ' ' PHE . 6.4 pt -151.38 133.51 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.164 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -67.5 -67.97 0.42 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -162.88 -52.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -51.78 -49.08 63.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.54 -28.98 70.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.627 ' HB2' HD12 ' A' ' 54' ' ' ILE . 33.4 t80 -76.21 -31.07 58.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.892 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 35.3 mm -85.23 -25.12 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 60.4 m -55.74 -53.46 56.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.814 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -79.36 -18.04 53.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 9.7 t -93.94 91.3 6.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -105.84 -12.05 16.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.525 ' HB1' ' HB2' ' A' ' 71' ' ' LYS . . . 42.34 50.88 4.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.074 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.576 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -87.7 -67.09 0.16 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.642 0.735 . . . . 0.0 110.936 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.591 ' HG2' HD23 ' A' ' 69' ' ' LEU . 54.2 Cg_endo -69.83 -36.67 10.2 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.686 2.258 . . . . 0.0 112.338 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 132.19 34.0 0.39 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.504 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.591 HD23 ' HG2' ' A' ' 67' ' ' PRO . 0.5 OUTLIER -85.87 -33.08 21.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.806 0.336 . . . . 0.0 110.908 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.429 ' HG2' ' HG ' ' A' ' 69' ' ' LEU . 48.1 mmm -115.84 -21.32 9.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.525 ' HB2' ' HB1' ' A' ' 65' ' ' ALA . 49.0 tttt -72.82 -21.89 60.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -129.48 44.85 2.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.822 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -132.81 -29.33 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.453 ' HB2' ' O ' ' A' ' 3' ' ' ASP . . . -82.02 -4.08 55.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.104 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.72 -13.33 9.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.437 HG11 ' O ' ' A' ' 31' ' ' LEU . 55.5 t -50.58 -71.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 48.2 p90 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.982 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.813 0.34 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -125.16 -30.66 3.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.5 mp0 -57.46 -24.6 56.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -78.94 -18.72 53.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.543 HG22 ' CE2' ' A' ' 11' ' ' PHE . 0.9 OUTLIER -101.29 -39.86 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.107 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -54.04 -59.81 4.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -56.04 -28.66 58.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -67.14 -47.17 71.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.543 ' CE2' HG22 ' A' ' 7' ' ' ILE . 46.5 m-85 -78.94 -22.37 45.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -94.85 23.84 5.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.816 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.12 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.3 mttm -135.97 171.35 14.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.765 0.317 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.499 HD12 HD12 ' A' ' 24' ' ' LEU . 30.7 pt -127.9 134.49 65.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.162 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.61 97.97 0.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.815 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.558 ' O ' HG22 ' A' ' 25' ' ' THR . 0.0 OUTLIER -48.14 -44.54 32.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.5 t -48.45 -30.97 5.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -88.36 -31.13 19.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.544 ' CD2' HD11 ' A' ' 28' ' ' LEU . 10.4 tt -72.01 -53.77 11.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.922 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.647 ' HA ' HD12 ' A' ' 28' ' ' LEU . 5.4 t -53.24 -28.03 25.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.138 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -94.66 -20.41 19.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.855 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.96 22.89 6.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.647 HD12 ' HA ' ' A' ' 25' ' ' THR . 2.1 mt -102.89 -55.21 2.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -54.64 -37.17 65.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.1 t -65.31 -15.2 62.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.546 HD22 ' C ' ' A' ' 77' ' ' PHE . 36.2 mt -100.46 13.34 34.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.916 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.67 -33.51 5.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.472 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.8 m -48.82 164.35 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.001 0.429 . . . . 0.0 110.876 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.42 -50.48 1.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.174 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 89.3 p -86.92 63.99 8.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.829 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.451 ' HB1' ' O ' ' A' ' 25' ' ' THR . . . -78.72 -33.56 46.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.067 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -61.62 -16.71 50.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -51.91 -29.81 21.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.7 p -118.85 -21.56 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.4 tm0? -54.35 -23.56 15.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -120.59 5.04 10.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.481 ' O ' HG23 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -134.04 24.2 3.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.421 ' HB2' HD13 ' A' ' 21' ' ' LEU . 9.8 ptt? -78.81 -20.55 49.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.58 2.29 44.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -121.2 15.27 11.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.481 HG23 ' O ' ' A' ' 42' ' ' MET . 1.2 pt -110.83 -33.0 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -179.65 -45.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.444 HG21 HD11 ' A' ' 21' ' ' LEU . 13.0 m -51.51 115.85 1.81 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.155 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -117.58 -17.95 9.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.861 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -66.72 -117.17 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -112.17 -20.14 12.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.883 0.373 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 145.24 55.27 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.45 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.51 ' N ' HD21 ' A' ' 21' ' ' LEU . 87.6 m-85 -146.13 169.52 18.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.787 0.327 . . . . 0.0 110.902 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.502 HD12 ' HA ' ' A' ' 59' ' ' PHE . 6.7 pt -154.54 127.17 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.124 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -69.28 -67.2 0.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -161.07 -53.65 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -51.9 -45.16 64.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.46 ' HB2' HG22 ' A' ' 54' ' ' ILE . 1.9 mt-10 -72.27 -29.42 63.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.502 ' HA ' HD12 ' A' ' 54' ' ' ILE . 25.0 t80 -71.85 -29.7 64.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.876 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.425 ' HA ' ' HB2' ' A' ' 63' ' ' CYS . 30.1 mm -85.14 -21.91 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.152 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.4 p -58.94 -45.87 89.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -88.53 -20.92 24.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.425 ' HB2' ' HA ' ' A' ' 60' ' ' ILE . 17.8 m -86.91 49.58 1.84 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -61.32 -39.43 90.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.756 ' HB2' ' HB2' ' A' ' 70' ' ' MET . . . 58.59 46.23 14.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.109 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.551 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -79.46 -65.75 0.29 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.618 0.723 . . . . 0.0 110.874 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.586 ' HG2' HD23 ' A' ' 69' ' ' LEU . 53.7 Cg_endo -69.79 -37.41 9.14 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.672 2.248 . . . . 0.0 112.308 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 136.01 38.74 0.17 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.616 HD12 ' SD ' ' A' ' 70' ' ' MET . 0.4 OUTLIER -87.84 -30.92 19.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.821 0.343 . . . . 0.0 110.918 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.756 ' HB2' ' HB2' ' A' ' 65' ' ' ALA . 17.7 mmm -113.37 -21.7 10.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.0 tttt -82.9 -32.28 27.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -97.98 22.97 8.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -126.53 -31.27 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.181 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.05 -30.31 61.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.7 mmmt -90.33 -15.49 31.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.462 HG12 ' H ' ' A' ' 77' ' ' PHE . 2.8 t -88.37 165.5 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.144 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.546 ' C ' HD22 ' A' ' 31' ' ' LEU . 76.5 m-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 94.9 m-20 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.804 0.335 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.51 -29.03 4.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -69.45 -22.89 63.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 21.4 tpp180 -78.2 -25.05 46.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.566 HG22 ' CE2' ' A' ' 11' ' ' PHE . 0.7 OUTLIER -97.91 -40.1 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.097 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -54.68 -59.25 4.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -55.82 -29.45 59.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.05 -45.57 77.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.566 ' CE2' HG22 ' A' ' 7' ' ' ILE . 47.2 m-85 -79.17 -22.85 44.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -81.65 57.07 3.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 -179.835 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -92.01 -174.51 3.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.807 0.337 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.616 HD12 HD12 ' A' ' 24' ' ' LEU . 25.1 pt -145.64 133.03 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.61 101.37 1.01 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.835 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.554 HD13 ' HG2' ' A' ' 43' ' ' MET . 0.0 OUTLIER -49.15 -46.36 45.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.932 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.2 t -49.13 -30.3 6.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -88.51 -31.68 18.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.616 HD12 HD12 ' A' ' 19' ' ' ILE . 10.4 tt -71.83 -55.04 8.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.637 ' HA ' HD12 ' A' ' 28' ' ' LEU . 10.0 t -52.92 -25.82 13.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.139 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -96.99 -21.48 17.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.855 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . . . -94.07 19.05 9.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.637 HD12 ' HA ' ' A' ' 25' ' ' THR . 1.9 mt -98.47 -55.19 2.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.21 -34.85 24.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.415 HG23 ' N ' ' A' ' 31' ' ' LEU . 8.0 t -61.95 -41.54 98.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.415 ' N ' HG23 ' A' ' 30' ' ' THR . 17.2 mt -67.2 -27.51 67.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 118.84 51.29 0.3 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.476 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.573 ' HB3' HG21 ' A' ' 73' ' ' VAL . 1.0 OUTLIER -120.87 -178.09 3.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.986 0.422 . . . . 0.0 110.851 -179.75 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -125.29 3.36 7.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.137 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 99.5 p -116.45 70.6 0.77 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.96 -15.55 8.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.458 ' HA ' ' HB2' ' A' ' 40' ' ' GLN . 0.7 OUTLIER -115.06 -32.87 5.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -57.84 -50.53 73.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.2 p -83.28 -19.67 9.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.084 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.458 ' HB2' ' HA ' ' A' ' 37' ' ' ASP . 0.0 OUTLIER -53.12 -24.47 10.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.88 14.54 12.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.819 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 12.6 mtt -143.03 21.09 1.94 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.554 ' HG2' HD13 ' A' ' 21' ' ' LEU . 1.4 ttt -84.44 -18.18 36.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -98.46 3.41 48.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.099 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -114.98 -6.16 12.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.1 pt -92.88 -32.77 5.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.106 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -167.06 -55.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.554 HG21 HD11 ' A' ' 21' ' ' LEU . 91.5 m -48.09 111.62 0.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -62.93 -77.22 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -161.94 42.53 0.38 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.501 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -112.27 -42.15 3.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.869 0.366 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.83 22.01 11.51 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.51 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.494 ' N ' HD21 ' A' ' 21' ' ' LEU . 92.4 m-85 -147.83 171.92 14.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.831 0.348 . . . . 0.0 110.885 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.563 HD12 ' HB2' ' A' ' 59' ' ' PHE . 6.1 pt -153.75 132.57 3.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.11 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -67.72 -68.63 0.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -163.38 -53.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -51.03 -44.93 61.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -72.5 -25.43 61.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.563 ' HB2' HD12 ' A' ' 54' ' ' ILE . 8.9 t80 -75.96 -36.09 59.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 23.6 mm -76.94 -28.22 16.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.88 -53.38 41.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -85.01 -24.3 28.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 11.2 t -87.52 47.04 1.44 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -61.03 -40.41 93.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.77 ' HB2' ' HB2' ' A' ' 70' ' ' MET . . . 57.0 38.41 29.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.103 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.542 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -77.82 -64.78 0.39 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.615 0.722 . . . . 0.0 110.902 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.542 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.2 Cg_endo -69.77 -8.35 23.38 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.67 2.247 . . . . 0.0 112.307 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.28 51.14 1.36 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.449 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.659 HD12 ' HE3' ' A' ' 70' ' ' MET . 0.5 OUTLIER -103.7 -30.58 10.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.82 0.343 . . . . 0.0 110.884 -179.906 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.77 ' HB2' ' HB2' ' A' ' 65' ' ' ALA . 8.3 mmt -116.75 -21.25 9.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.4 tttm -77.07 -28.96 54.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.416 ' HA ' ' HD3' ' A' ' 75' ' ' LYS . 9.2 p-10 -102.9 32.83 3.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.573 HG21 ' HB3' ' A' ' 33' ' ' SER . 0.3 OUTLIER -133.44 -33.35 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 3' ' ' ASP . . . -58.68 -31.18 67.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.095 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.416 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 0.0 OUTLIER -89.63 -15.1 33.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.553 HG12 ' H ' ' A' ' 77' ' ' PHE . 1.6 t -89.98 170.58 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.553 ' H ' HG12 ' A' ' 76' ' ' VAL . 58.7 m-85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.434 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 78.3 m-20 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.843 0.354 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -118.02 -24.86 6.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -68.88 -32.3 71.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -69.33 -22.17 63.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.435 HG22 ' CE2' ' A' ' 11' ' ' PHE . 1.7 mt -95.35 -49.15 12.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -52.29 -38.97 59.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -72.12 -28.57 63.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.24 -43.2 64.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.435 ' CE2' HG22 ' A' ' 7' ' ' ILE . 44.1 m-85 -79.1 -23.63 43.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.874 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -81.63 57.23 3.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.168 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.9 mttm -91.9 -171.68 2.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.762 0.315 . . . . 0.0 110.924 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.507 HD12 HD12 ' A' ' 24' ' ' LEU . 37.2 pt -146.79 147.04 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.126 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.431 ' CB ' ' HB2' ' A' ' 23' ' ' GLU . 67.8 m -58.5 112.46 1.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.689 HD11 ' HB2' ' A' ' 43' ' ' MET . 0.1 OUTLIER -71.72 -65.85 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.932 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.4 m -48.94 -19.8 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.431 ' HB2' ' CB ' ' A' ' 20' ' ' SER . 41.4 mm-40 -91.19 -28.8 17.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.513 ' CD2' HD11 ' A' ' 28' ' ' LEU . 10.5 tt -70.17 -54.83 11.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.683 ' OG1' HG13 ' A' ' 39' ' ' VAL . 13.9 t -53.33 -25.24 14.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -97.35 -21.14 17.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.07 17.76 10.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.604 HD12 ' HA ' ' A' ' 25' ' ' THR . 2.3 mt -99.45 -50.48 4.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.655 ' HD3' ' HB3' ' A' ' 36' ' ' ALA . 2.9 tpt180 -56.69 -22.79 37.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.4 t -79.29 -15.34 58.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 27.8 mt -102.73 12.18 36.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.65 ' HA3' HG11 ' A' ' 76' ' ' VAL . . . 75.37 57.87 4.12 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.511 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -121.48 -178.43 3.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.99 0.424 . . . . 0.0 110.832 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.68 12.1 3.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.138 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.481 ' O ' HG12 ' A' ' 39' ' ' VAL . 14.5 t -119.28 35.59 4.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.655 ' HB3' ' HD3' ' A' ' 29' ' ' ARG . . . -88.88 -54.8 3.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.138 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.59 -3.75 39.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -85.85 -52.65 5.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.683 HG13 ' OG1' ' A' ' 25' ' ' THR . 4.8 p -77.43 -20.21 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.123 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.44 -25.31 9.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.0 ptp85 -123.45 -2.89 8.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.517 ' O ' HG23 ' A' ' 46' ' ' ILE . 11.5 mtt -114.55 11.57 17.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.689 ' HB2' HD11 ' A' ' 21' ' ' LEU . 9.9 ptt? -75.56 -24.73 56.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -97.36 14.59 25.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -136.93 17.45 3.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.517 HG23 ' O ' ' A' ' 42' ' ' MET . 1.1 pt -114.79 -32.89 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 179.57 -45.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.549 HG21 HD12 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -52.11 115.43 1.71 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.142 -179.882 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -57.42 -75.28 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -173.91 44.43 0.15 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -112.74 -37.9 4.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.836 0.351 . . . . 0.0 110.837 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.65 23.37 8.85 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.477 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.411 ' O ' HG23 ' A' ' 48' ' ' THR . 92.5 m-85 -147.35 173.32 12.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.823 0.344 . . . . 0.0 110.884 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.642 HD12 ' HB2' ' A' ' 59' ' ' PHE . 6.9 pt -153.09 129.1 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -68.09 -65.19 0.73 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -165.14 -53.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -52.4 -50.33 62.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.836 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -63.08 -29.4 70.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.642 ' HB2' HD12 ' A' ' 54' ' ' ILE . 10.3 t80 -72.97 -36.62 67.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 27.9 mm -77.42 -23.34 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.113 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.1 t -60.56 -46.42 90.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -78.47 -16.38 57.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 61.0 m -84.83 53.15 2.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -60.57 -39.18 87.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.633 ' HB2' ' HB2' ' A' ' 70' ' ' MET . . . 60.26 38.46 19.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.55 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -84.09 -65.4 0.22 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.584 0.707 . . . . 0.0 110.892 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.634 ' HG2' HD23 ' A' ' 69' ' ' LEU . 54.2 Cg_endo -69.71 -37.13 9.72 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.706 2.271 . . . . 0.0 112.375 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 134.08 34.76 0.28 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.508 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.634 HD23 ' HG2' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -87.21 -23.31 24.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.828 0.346 . . . . 0.0 110.953 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.633 ' HB2' ' HB2' ' A' ' 65' ' ' ALA . 28.8 mmm -116.58 -21.87 8.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.6 tttm -83.39 -17.99 40.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.935 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -130.01 46.56 2.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -137.21 -30.42 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.116 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.434 ' HB2' ' O ' ' A' ' 3' ' ' ASP . . . -84.23 -4.55 58.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.092 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.54 -13.0 9.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.65 HG11 ' HA3' ' A' ' 32' ' ' GLY . 79.7 t -51.28 -73.58 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 7.9 t80 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.976 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.469 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 24.2 m-20 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.784 0.326 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -128.38 -32.24 2.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 22.8 mp0 -58.96 -29.94 67.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.9 ttp85 -70.78 -19.35 62.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.91 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.564 HG22 ' CE2' ' A' ' 11' ' ' PHE . 0.9 OUTLIER -101.94 -41.02 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -54.93 -61.82 2.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -53.08 -29.52 30.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -50.92 60.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.58 ' C ' HG22 ' A' ' 19' ' ' ILE . 37.6 m-85 -80.9 0.26 36.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -91.69 49.55 1.59 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.189 -179.913 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.563 -0.215 . . . . 0.0 112.563 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.4 mtpt -92.09 177.22 6.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.797 0.332 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.58 HG22 ' C ' ' A' ' 11' ' ' PHE . 38.8 pt -145.69 134.5 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.445 ' HG ' ' HE2' ' A' ' 53' ' ' PHE . 0.8 OUTLIER -67.95 97.05 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.933 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.495 HD11 HG21 ' A' ' 48' ' ' THR . 0.0 OUTLIER -48.62 -44.78 37.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 83.6 p -48.37 -30.23 4.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -87.53 -32.38 19.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.526 ' CD2' HD11 ' A' ' 28' ' ' LEU . 10.4 tt -72.86 -55.73 6.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.626 ' HA ' HD12 ' A' ' 28' ' ' LEU . 10.2 t -53.08 -25.61 13.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -96.12 -21.42 17.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.825 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.7 21.24 7.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.626 HD12 ' HA ' ' A' ' 25' ' ' THR . 2.1 mt -102.11 -53.14 2.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.7 ttt180 -56.79 -22.8 38.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.6 t -79.57 -15.24 58.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.457 HD22 ' CD1' ' A' ' 77' ' ' PHE . 16.5 mt -100.48 10.08 41.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.961 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.01 51.8 2.19 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.455 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 m -123.57 161.05 25.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.947 0.403 . . . . 0.0 110.818 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.56 3.77 5.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.132 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 63.5 p -127.83 50.72 2.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.62 ' HB1' ' O ' ' A' ' 25' ' ' THR . . . -103.08 -37.0 7.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.101 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.427 ' HA ' ' HB2' ' A' ' 40' ' ' GLN . 9.5 t0 -69.9 -23.14 63.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.837 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -56.19 -54.59 43.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.47 ' O ' HG22 ' A' ' 39' ' ' VAL . 6.1 p -84.56 -12.21 11.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.115 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.427 ' HB2' ' HA ' ' A' ' 37' ' ' ASP . 0.4 OUTLIER -63.38 -12.54 31.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.944 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.57 5.4 7.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.422 ' HG2' ' HA ' ' A' ' 39' ' ' VAL . 3.3 ptm -132.19 3.14 3.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 16.2 ptt? -61.82 -16.87 53.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.831 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -102.15 21.12 15.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.072 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -150.39 31.7 0.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -121.35 -77.74 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -139.17 -25.71 0.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.495 HG21 HD11 ' A' ' 21' ' ' LEU . 45.5 m -43.43 121.75 2.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.168 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -123.79 -9.98 7.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -87.89 27.78 6.42 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 53.64 37.65 26.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.347 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 122.51 23.32 2.36 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.479 ' N ' HD21 ' A' ' 21' ' ' LEU . 90.3 m-85 -147.83 170.57 17.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.794 0.33 . . . . 0.0 110.875 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.581 HD12 ' HA ' ' A' ' 59' ' ' PHE . 4.0 pt -155.37 119.76 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.131 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -57.19 -70.96 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -162.69 -52.52 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -56.03 -26.25 48.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.419 ' CB ' HG22 ' A' ' 54' ' ' ILE . 71.6 mt-10 -88.4 -30.09 19.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.581 ' HA ' HD12 ' A' ' 54' ' ' ILE . 17.9 t80 -73.74 -25.54 60.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 31.8 mm -88.27 -30.35 5.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.16 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.67 -55.68 18.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -78.43 -19.15 53.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 35.4 t -95.33 82.75 3.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 48.4 m-20 -100.33 -12.9 19.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.605 ' HB2' ' HB2' ' A' ' 70' ' ' MET . . . 45.02 45.0 8.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.116 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.554 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -80.98 -66.29 0.24 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.595 0.712 . . . . 0.0 110.889 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.56 ' HG2' HD23 ' A' ' 69' ' ' LEU . 53.9 Cg_endo -69.77 -10.1 27.72 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.702 2.268 . . . . 0.0 112.327 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.05 37.97 3.96 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.513 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.56 HD23 ' HG2' ' A' ' 67' ' ' PRO . 0.6 OUTLIER -95.47 -28.28 14.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.832 0.349 . . . . 0.0 110.915 -179.9 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.605 ' HB2' ' HB2' ' A' ' 65' ' ' ALA . 11.2 mmt -113.14 -21.19 11.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.584 ' HB2' ' HB1' ' A' ' 65' ' ' ALA . 42.4 tttm -82.83 -31.25 28.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -103.5 30.42 5.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -125.05 -28.48 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.186 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.469 ' HB2' ' O ' ' A' ' 3' ' ' ASP . . . -84.39 -2.87 57.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.6 mmtm -112.12 -22.81 10.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 88.5 t -63.83 -41.26 91.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.457 ' CD1' HD22 ' A' ' 31' ' ' LEU . 13.7 t80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.485 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 22.9 m-20 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.825 0.345 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -117.52 -31.04 5.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -59.1 -19.76 47.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 19.4 ttt85 -86.92 -6.73 58.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.5 HG22 ' CE2' ' A' ' 11' ' ' PHE . 0.8 OUTLIER -115.99 -39.35 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -51.93 -56.55 13.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.672 ' O ' HG23 ' A' ' 13' ' ' THR . 6.1 mtpm? -64.73 -19.54 65.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.901 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.53 -32.0 63.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.841 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.5 ' CE2' HG22 ' A' ' 7' ' ' ILE . 54.9 m-85 -100.75 -24.03 14.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -92.02 14.25 16.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.672 HG23 ' O ' ' A' ' 9' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.3 mttp -92.15 169.61 10.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.767 0.317 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.467 HD11 ' CD1' ' A' ' 59' ' ' PHE . 30.0 pt -127.27 133.76 67.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.137 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.16 98.26 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.6 HD13 ' CG ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -47.93 -43.32 28.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.6 p -47.43 -29.87 2.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -90.09 -32.2 16.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.506 ' CD2' HD11 ' A' ' 28' ' ' LEU . 10.4 tt -72.11 -55.38 7.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.628 ' HA ' HD12 ' A' ' 28' ' ' LEU . 9.2 t -53.28 -25.42 14.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -97.3 -20.71 17.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.12 17.7 12.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.628 HD12 ' HA ' ' A' ' 25' ' ' THR . 1.9 mt -98.17 -57.21 2.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.03 -34.67 63.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.4 t -64.32 -15.22 59.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.401 ' O ' HG11 ' A' ' 76' ' ' VAL . 28.0 mt -102.99 3.2 35.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.62 15.09 30.35 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 74.1 m -64.87 -174.18 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.939 0.4 . . . . 0.0 110.846 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.23 -51.27 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.8 m -89.58 51.97 2.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.97 -37.23 12.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.061 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -83.71 -1.7 54.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -85.46 -52.43 5.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.438 HG22 ' HB2' ' A' ' 43' ' ' MET . 2.9 p -82.46 -15.19 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -49.74 -27.87 5.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -117.77 -8.71 10.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.1 mtt -110.84 18.7 19.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.6 ' CG ' HD13 ' A' ' 21' ' ' LEU . 24.4 tpp -82.34 -24.52 34.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.836 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.42 1.86 57.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.112 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -116.44 15.5 15.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.48 HD13 ' HB2' ' A' ' 62' ' ' PHE . 1.1 pt -115.61 -27.95 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 179.15 -50.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.586 HG21 HD11 ' A' ' 21' ' ' LEU . 26.6 m -49.66 113.13 0.77 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.166 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -119.61 -16.14 8.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -70.53 -139.69 0.17 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.474 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -85.54 -5.7 59.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.905 0.383 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 123.72 55.56 0.19 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.51 ' N ' HD21 ' A' ' 21' ' ' LEU . 72.4 m-85 -143.5 169.78 17.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.365 . . . . 0.0 110.842 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.573 HD12 ' HB2' ' A' ' 59' ' ' PHE . 5.5 pt -155.34 127.57 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.134 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -69.53 -66.2 0.62 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -161.86 -52.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -54.74 -45.31 74.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.469 ' HB2' HG22 ' A' ' 54' ' ' ILE . 66.7 mt-10 -72.55 -24.35 61.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.573 ' HB2' HD12 ' A' ' 54' ' ' ILE . 7.5 t80 -79.23 -24.11 43.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 39.7 mm -91.91 -25.21 5.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.9 m -61.62 -28.3 69.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.48 ' HB2' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -90.94 -23.54 20.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 7.3 m -79.32 57.77 2.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 35.5 m-20 -51.92 -38.39 56.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.456 ' HB2' ' SD ' ' A' ' 70' ' ' MET . . . 64.67 30.09 12.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.566 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -94.85 -66.46 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.615 0.721 . . . . 0.0 110.907 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.566 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 54.0 Cg_endo -69.68 -6.57 18.89 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.659 2.24 . . . . 0.0 112.384 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 86.99 25.07 35.46 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.493 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.524 HD12 ' N ' ' A' ' 70' ' ' MET . 4.3 pp -67.39 -37.0 82.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.784 0.326 . . . . 0.0 110.939 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.524 ' N ' HD12 ' A' ' 69' ' ' LEU . 3.3 ppp? -114.54 -21.11 10.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.6 tttp -69.87 -24.79 63.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.912 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.03 35.69 4.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -127.09 -29.49 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.187 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' A' ' 3' ' ' ASP . . . -84.99 2.38 43.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.072 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.05 -10.79 8.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.401 HG11 ' O ' ' A' ' 31' ' ' LEU . 54.6 t -66.52 -68.48 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.163 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 6.6 t80 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.819 -179.959 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.504 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 4.5 m-20 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.844 0.354 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -120.45 -29.98 4.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -57.86 -35.96 71.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 -69.12 -22.17 63.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.425 HG22 ' CE2' ' A' ' 11' ' ' PHE . 1.8 mt -92.18 -48.92 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.109 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -51.81 -57.2 10.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -56.07 -26.77 50.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -45.92 55.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.873 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.425 ' CE2' HG22 ' A' ' 7' ' ' ILE . 40.4 m-85 -78.8 -21.38 47.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -80.23 57.24 2.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.9 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.104 -179.867 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.4 mttp -136.26 176.78 8.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.78 0.324 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.626 HD12 HD12 ' A' ' 24' ' ' LEU . 19.7 pt -126.93 147.09 31.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.181 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.9 p -57.51 112.61 1.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.93 HD12 HG21 ' A' ' 48' ' ' THR . 0.2 OUTLIER -69.68 -68.13 0.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.8 p -48.61 -20.87 0.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -90.76 -30.26 17.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.626 HD12 HD12 ' A' ' 19' ' ' ILE . 10.5 tt -70.2 -54.59 12.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.608 ' HA ' HD12 ' A' ' 28' ' ' LEU . 10.1 t -53.16 -25.72 14.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -97.45 -20.53 17.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.63 18.48 9.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.126 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.608 HD12 ' HA ' ' A' ' 25' ' ' THR . 2.3 mt -99.87 -58.54 1.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.961 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.0 ttt85 -51.51 -33.5 32.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.408 HG23 ' N ' ' A' ' 31' ' ' LEU . 6.2 t -61.26 -42.13 98.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.408 ' N ' HG23 ' A' ' 30' ' ' THR . 11.3 mt -72.79 -0.75 14.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 102.77 12.8 31.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.451 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.471 ' OG ' HG21 ' A' ' 73' ' ' VAL . 69.1 m -60.3 -172.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.941 0.401 . . . . 0.0 110.878 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.09 -50.64 0.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.108 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.4 p -87.6 54.22 3.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.2 -52.33 8.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.078 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.411 ' HA ' ' HB2' ' A' ' 40' ' ' GLN . 6.0 t70 -73.64 -26.0 60.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -55.47 -30.74 61.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.0 p -110.64 -20.26 6.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.179 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.411 ' HB2' ' HA ' ' A' ' 37' ' ' ASP . 1.0 OUTLIER -53.13 -24.5 10.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.915 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.78 15.8 11.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.6 mtt -141.81 17.43 2.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.447 ' HG2' HD11 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -81.98 -24.22 35.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.91 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -90.63 8.76 32.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -124.39 5.47 8.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.642 HD13 ' HB2' ' A' ' 62' ' ' PHE . 1.0 OUTLIER -113.19 -19.69 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -177.47 -57.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.93 HG21 HD12 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -50.02 121.98 6.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 -179.879 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -77.38 -22.95 50.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.849 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 141.99 -10.05 2.55 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -58.38 -17.96 24.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.828 0.347 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.13 27.27 60.35 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.51 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.466 ' O ' HG23 ' A' ' 48' ' ' THR . 88.8 m-85 -150.15 172.96 14.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.894 0.378 . . . . 0.0 110.863 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.507 HD12 ' HB2' ' A' ' 59' ' ' PHE . 4.9 pt -153.95 121.56 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.159 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -64.3 -62.12 1.81 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -168.21 -52.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -58.82 -24.77 62.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.446 ' CB ' HG22 ' A' ' 54' ' ' ILE . 40.4 mt-10 -88.02 -16.2 34.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.507 ' HB2' HD12 ' A' ' 54' ' ' ILE . 19.9 t80 -90.01 -26.96 20.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 33.7 mm -87.01 -22.17 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.108 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 80.2 p -60.44 -46.0 91.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.642 ' HB2' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -86.61 -22.18 26.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 10.6 m -84.1 51.99 2.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -60.92 -38.67 86.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.648 ' HB2' ' HB2' ' A' ' 70' ' ' MET . . . 62.46 40.81 10.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.548 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -79.5 -65.29 0.3 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.614 0.721 . . . . 0.0 110.876 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.548 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.9 Cg_endo -69.73 -9.52 26.31 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.671 2.247 . . . . 0.0 112.358 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.24 36.65 5.11 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.466 ' HG ' ' HG2' ' A' ' 70' ' ' MET . 0.6 OUTLIER -88.86 -28.29 20.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.832 0.349 . . . . 0.0 110.937 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.648 ' HB2' ' HB2' ' A' ' 65' ' ' ALA . 27.9 mmm -99.04 -22.52 15.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -85.63 -32.24 22.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -96.26 28.34 3.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.899 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.471 HG21 ' OG ' ' A' ' 33' ' ' SER . 0.3 OUTLIER -130.88 -28.82 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.088 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 3' ' ' ASP . . . -85.42 0.69 51.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.06 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.7 -10.35 8.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 51.3 t -58.68 -71.63 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 86.9 t80 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.979 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.49 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 89.7 m-20 . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.839 0.352 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -126.36 -31.35 2.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -56.8 -49.71 74.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 41.7 ttm-85 -53.48 -26.61 21.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.804 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.4 mt -88.34 -52.69 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -50.62 -58.44 5.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.4 mtpt -56.14 -25.24 45.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.26 -47.7 33.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -76.83 -21.67 54.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -83.16 55.84 3.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.3 p . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 -179.866 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -71.18 178.94 3.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.726 0.298 . . . . 0.0 110.939 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.678 HD12 HD12 ' A' ' 24' ' ' LEU . 18.2 pt -127.05 146.83 32.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.129 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.472 ' CB ' ' HB2' ' A' ' 23' ' ' GLU . 58.8 m -58.23 113.56 1.99 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.572 HD12 HG21 ' A' ' 48' ' ' THR . 0.2 OUTLIER -68.24 -66.88 0.51 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.912 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.4 t -46.42 -22.44 0.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.472 ' HB2' ' CB ' ' A' ' 20' ' ' SER . 0.4 OUTLIER -88.86 -33.37 17.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.921 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.678 HD12 HD12 ' A' ' 19' ' ' ILE . 10.4 tt -71.65 -55.69 7.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.942 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.616 ' HA ' HD12 ' A' ' 28' ' ' LEU . 8.3 t -52.53 -25.95 11.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -97.12 -20.99 17.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.79 18.88 9.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.093 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.616 HD12 ' HA ' ' A' ' 25' ' ' THR . 2.1 mt -99.56 -56.46 2.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.4 ptt85 -54.47 -35.8 63.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.419 HG23 ' N ' ' A' ' 31' ' ' LEU . 7.1 t -57.72 -42.36 83.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.419 ' N ' HG23 ' A' ' 30' ' ' THR . 12.4 mt -68.82 -22.52 64.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 117.74 46.61 0.47 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.484 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.6 p -109.19 170.3 8.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.942 0.401 . . . . 0.0 110.892 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.57 10.47 5.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 77.1 p -125.69 52.85 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -102.21 -57.12 2.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -71.34 -7.61 48.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -85.89 -25.78 25.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.457 HG22 ' HB2' ' A' ' 43' ' ' MET . 3.9 p -111.86 -17.21 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.104 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -50.79 -25.4 4.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.933 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.6 ptt180 -121.06 -9.85 9.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 4.4 mmt -106.37 12.47 29.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.582 ' SD ' HD11 ' A' ' 46' ' ' ILE . 5.1 tpt -80.55 -27.37 37.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.74 8.67 27.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -126.94 16.69 7.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.582 HD11 ' SD ' ' A' ' 43' ' ' MET . 1.0 OUTLIER -123.52 -33.03 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.086 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -167.63 -58.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.572 HG21 HD12 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -48.38 109.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -51.73 -36.97 49.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 146.97 -13.75 1.49 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.518 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -49.79 -35.36 22.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.88 0.371 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 101.99 26.42 7.48 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.466 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.568 ' O ' HG23 ' A' ' 48' ' ' THR . 94.3 m-85 -150.03 172.7 14.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.826 0.346 . . . . 0.0 110.883 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.636 HD12 ' HB2' ' A' ' 59' ' ' PHE . 11.3 pt -153.13 129.72 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.158 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -73.55 -62.81 1.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -165.47 -53.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -52.01 -44.44 64.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -71.84 -26.73 62.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.636 ' HB2' HD12 ' A' ' 54' ' ' ILE . 24.4 t80 -77.56 -23.68 50.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.838 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 39.8 mm -94.05 -32.77 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -50.61 -59.4 4.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.576 ' CB ' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -72.54 -19.14 61.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 28.6 t -95.72 85.01 4.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -99.87 -13.7 19.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.633 ' HB2' ' HB2' ' A' ' 70' ' ' MET . . . 43.2 37.79 1.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.083 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.555 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -79.59 -65.69 0.29 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.597 0.713 . . . . 0.0 110.855 -179.91 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.555 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 54.2 Cg_endo -69.79 -9.49 26.22 Favored 'Trans proline' 0 C--O 1.231 0.132 0 C-N-CA 122.675 2.25 . . . . 0.0 112.368 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.35 34.08 5.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.548 HD23 ' HG2' ' A' ' 67' ' ' PRO . 0.6 OUTLIER -91.32 -27.4 18.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.845 0.355 . . . . 0.0 110.965 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.633 ' HB2' ' HB2' ' A' ' 65' ' ' ALA . 10.9 mmt -115.4 -21.4 9.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.479 ' HB2' ' HB1' ' A' ' 65' ' ' ALA . 0.9 OUTLIER -76.36 -26.9 56.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -110.2 33.87 4.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -127.61 -29.3 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.49 ' HB2' ' O ' ' A' ' 3' ' ' ASP . . . -84.01 -3.19 57.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.3 mmtm -112.99 -21.74 10.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 77.4 t -57.38 -74.26 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.101 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.0 t80 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.467 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 19.0 m-20 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.827 0.346 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -125.29 -28.5 3.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -57.05 -34.47 68.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 72.6 ttt-85 -70.27 -10.75 59.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.489 HG22 ' CE2' ' A' ' 11' ' ' PHE . 0.9 OUTLIER -106.45 -34.6 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -66.92 -50.83 61.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -64.0 -23.21 67.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -75.56 -45.33 38.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.489 ' CE2' HG22 ' A' ' 7' ' ' ILE . 42.9 m-85 -79.17 -23.59 43.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -81.41 57.28 3.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.167 -179.894 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.9 mttm -72.9 171.38 12.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.801 0.334 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.554 HD12 HD12 ' A' ' 24' ' ' LEU . 30.5 pt -127.02 146.19 33.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.093 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 64.7 m -58.26 112.68 1.63 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.576 HD11 ' HB2' ' A' ' 43' ' ' MET . 0.1 OUTLIER -68.51 -65.67 0.67 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.5 t -48.29 -20.32 0.38 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.831 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -90.08 -29.99 17.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.554 HD12 HD12 ' A' ' 19' ' ' ILE . 10.3 tt -70.5 -55.88 7.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.954 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.602 ' HA ' HD12 ' A' ' 28' ' ' LEU . 10.1 t -53.18 -25.11 12.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.148 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -96.97 -21.21 17.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.16 22.92 6.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.136 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.602 HD12 ' HA ' ' A' ' 25' ' ' THR . 2.1 mt -103.7 -52.72 2.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.9 mmm-85 -65.43 -17.23 64.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.9 t -80.15 -14.94 58.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.108 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.1 mt -102.84 10.75 38.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 90.78 46.75 3.87 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.543 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.7 m -113.97 168.11 10.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.985 0.421 . . . . 0.0 110.849 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -133.8 7.64 3.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.106 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.3 m -126.11 55.54 1.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.441 ' HB1' ' O ' ' A' ' 25' ' ' THR . . . -114.37 -37.69 4.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.077 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -74.34 -6.69 49.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -85.85 -29.63 23.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.462 ' O ' HG22 ' A' ' 39' ' ' VAL . 4.7 p -105.43 -13.24 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.07 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -61.59 -15.28 37.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -127.7 6.8 6.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.404 ' HG2' ' HA ' ' A' ' 39' ' ' VAL . 0.3 OUTLIER -127.82 -1.52 5.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.576 ' HB2' HD11 ' A' ' 21' ' ' LEU . 11.3 ptt? -60.02 -18.45 46.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -98.37 20.54 12.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.096 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -148.25 26.66 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -121.62 -32.82 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.187 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -176.21 -44.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 97.0 m -51.39 114.48 1.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -56.0 -35.14 66.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 151.26 -18.84 0.93 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.459 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -51.84 -40.55 60.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.866 0.365 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.62 23.29 7.61 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -142.83 177.52 8.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.883 0.373 . . . . 0.0 110.854 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.713 HD12 ' HB2' ' A' ' 59' ' ' PHE . 7.7 pt -153.44 130.36 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.143 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -70.5 -64.89 0.81 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -163.84 -50.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -58.82 -49.56 77.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.459 ' CB ' HG22 ' A' ' 54' ' ' ILE . 1.8 mt-10 -59.25 -29.93 67.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.713 ' HB2' HD12 ' A' ' 54' ' ' ILE . 14.2 t80 -71.95 -48.32 46.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 31.5 mm -70.57 -20.28 22.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.159 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.4 p -52.6 -46.9 67.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.849 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.422 ' CZ ' HD13 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -101.15 -18.87 15.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 73.1 m -88.62 63.8 7.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -97.03 -8.74 29.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.785 ' HB2' ' HB2' ' A' ' 70' ' ' MET . . . 56.29 50.34 13.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.544 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -82.41 -65.54 0.24 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.615 0.722 . . . . 0.0 110.854 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.544 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.9 Cg_endo -69.73 -36.44 10.87 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.65 2.233 . . . . 0.0 112.325 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 134.19 33.22 0.32 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.528 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.523 HD23 ' HG2' ' A' ' 67' ' ' PRO . 0.5 OUTLIER -85.32 -30.46 23.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.802 0.334 . . . . 0.0 110.92 -179.891 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.785 ' HB2' ' HB2' ' A' ' 65' ' ' ALA . 17.0 mmt -117.14 -21.15 8.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.412 ' HB2' ' HB1' ' A' ' 65' ' ' ALA . 82.8 tttt -74.57 -20.91 59.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -129.93 42.82 3.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -136.52 -30.26 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.129 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' A' ' 3' ' ' ASP . . . -77.24 -5.57 49.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.112 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.31 -20.92 10.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.9 t -51.29 -73.09 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 26.2 t80 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.97 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.48 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 47.4 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.787 0.327 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -124.79 -29.14 3.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -57.47 -37.61 73.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 56.9 ttt-85 -72.15 -9.5 58.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.415 HG22 ' CE2' ' A' ' 11' ' ' PHE . 1.5 mt -100.46 -59.2 3.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -50.24 -57.57 7.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.4 mmtp -53.72 -28.29 33.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -74.4 -47.97 30.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.415 ' CE2' HG22 ' A' ' 7' ' ' ILE . 36.0 m-85 -80.59 0.48 33.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -95.4 48.54 1.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.0 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.172 -179.918 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 66.4 mttt -136.34 173.55 11.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.756 0.312 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.443 HD12 HD12 ' A' ' 24' ' ' LEU . 19.5 pt -127.23 146.19 33.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.42 ' HB3' ' HB2' ' A' ' 23' ' ' GLU . 72.5 m -60.82 97.81 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.517 ' CD2' ' C ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -53.86 -68.24 0.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.924 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.2 t -47.38 -22.11 0.39 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.42 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 3.9 tp10 -84.98 -31.38 23.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.543 ' CD2' HD11 ' A' ' 28' ' ' LEU . 10.5 tt -70.85 -54.32 11.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.922 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.708 ' OG1' HG13 ' A' ' 39' ' ' VAL . 9.8 t -53.38 -25.97 17.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -96.71 -20.72 18.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.28 23.88 5.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.161 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.594 HD12 ' HA ' ' A' ' 25' ' ' THR . 2.4 mt -104.82 -50.79 3.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -55.43 -21.62 16.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.417 HG23 ' N ' ' A' ' 31' ' ' LEU . 9.5 t -78.22 -41.27 34.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.106 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.417 ' N ' HG23 ' A' ' 30' ' ' THR . 13.1 mt -68.9 -22.61 64.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.63 60.74 1.08 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.471 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.481 ' HB2' HG23 ' A' ' 73' ' ' VAL . 0.2 OUTLIER -122.6 -9.21 8.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.932 0.396 . . . . 0.0 110.814 -179.725 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 54.1 22.65 3.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.089 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.5 m -128.0 59.92 1.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.841 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -110.25 -51.89 2.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.085 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -76.13 -1.74 27.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -85.89 -26.23 25.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.708 HG13 ' OG1' ' A' ' 25' ' ' THR . 4.7 p -112.0 -21.98 5.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.125 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.31 -24.72 12.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -121.76 13.63 10.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 9.2 mtm -140.7 19.74 2.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.508 ' HB2' HD11 ' A' ' 21' ' ' LEU . 6.9 ptt? -78.02 -22.83 48.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -97.79 10.02 41.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -126.69 14.6 7.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.888 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.1 pt -113.4 -33.83 2.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -174.7 -50.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 93.7 m -50.73 124.81 11.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.149 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -70.49 -76.12 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -164.93 40.81 0.29 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -112.37 -41.29 3.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.877 0.37 . . . . 0.0 110.846 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 101.72 23.06 9.63 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.405 ' O ' HG23 ' A' ' 54' ' ' ILE . 90.3 m-85 -145.5 172.61 12.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.844 0.354 . . . . 0.0 110.868 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.687 HD12 ' HB2' ' A' ' 59' ' ' PHE . 4.3 pt -154.54 125.3 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -58.99 -69.14 0.21 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -164.53 -52.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.838 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -55.56 -46.72 77.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.843 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -62.26 -21.45 65.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.687 ' HB2' HD12 ' A' ' 54' ' ' ILE . 4.9 t80 -85.81 -35.79 20.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 33.3 mm -78.59 -31.75 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.101 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.5 m -51.36 -57.89 7.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -76.1 -23.55 54.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 36.3 t -88.9 83.14 6.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -103.71 -11.94 17.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.578 ' HB1' ' HB2' ' A' ' 71' ' ' LYS . . . 46.51 56.27 6.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.071 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.587 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -90.92 -67.35 0.12 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.651 0.738 . . . . 0.0 110.894 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.587 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.4 Cg_endo -69.81 -36.63 10.31 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.679 2.252 . . . . 0.0 112.323 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 133.02 35.16 0.31 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.476 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.582 HD23 ' HG2' ' A' ' 67' ' ' PRO . 0.6 OUTLIER -91.46 -30.95 16.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.794 0.33 . . . . 0.0 110.965 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.434 ' HB2' ' HB2' ' A' ' 65' ' ' ALA . 12.3 mmt -117.88 -21.07 8.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.578 ' HB2' ' HB1' ' A' ' 65' ' ' ALA . 11.0 tttt -77.07 -21.58 54.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -117.39 41.27 2.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.481 HG23 ' HB2' ' A' ' 33' ' ' SER . 0.8 OUTLIER -129.83 -32.18 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.11 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.48 ' HB2' ' O ' ' A' ' 3' ' ' ASP . . . -84.97 3.66 37.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -119.61 -25.0 6.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 98.3 t -61.56 -44.21 98.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.109 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 23.4 p90 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.847 -179.98 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 87.9 m-20 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.822 0.344 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -124.11 -31.73 3.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -58.73 -33.9 70.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.506 ' HB3' ' HB1' ' A' ' 74' ' ' ALA . 7.2 tpm_? -69.08 -21.56 64.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.3 mt -92.59 -51.5 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.085 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -53.53 -56.69 14.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.12 -32.85 64.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.917 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.26 -44.47 79.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.873 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -79.36 -21.36 45.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -83.48 57.13 3.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.836 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.1 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 -179.906 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -69.67 176.3 3.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.755 0.312 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.7 HD12 HD12 ' A' ' 24' ' ' LEU . 15.7 pt -127.06 147.08 32.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.067 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 t -58.47 112.48 1.6 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.854 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.563 ' CD2' ' C ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -69.71 -67.64 0.47 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 84.4 p -48.02 -21.51 0.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -92.32 -29.83 16.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.936 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.7 HD12 HD12 ' A' ' 19' ' ' ILE . 10.5 tt -70.69 -54.07 13.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.951 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.614 ' HA ' HD12 ' A' ' 28' ' ' LEU . 7.7 t -53.03 -26.52 15.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.147 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -96.96 -20.76 17.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.29 18.13 10.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.614 HD12 ' HA ' ' A' ' 25' ' ' THR . 2.1 mt -98.9 -55.65 2.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 18.0 ptt-85 -53.68 -35.36 60.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.413 HG23 ' N ' ' A' ' 31' ' ' LEU . 6.7 t -56.83 -42.58 79.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.086 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.413 ' N ' HG23 ' A' ' 30' ' ' THR . 12.2 mt -69.13 -22.65 63.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.897 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 122.53 47.74 0.27 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.518 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.6 m -109.19 169.57 8.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.958 0.409 . . . . 0.0 110.821 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.9 5.73 4.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.127 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 88.9 p -125.08 37.1 4.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.841 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.23 -37.8 28.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.112 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -86.57 -0.7 56.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -85.78 -52.26 5.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.44 HG22 ' HB2' ' A' ' 43' ' ' MET . 4.2 p -81.76 -15.76 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.156 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -24.62 9.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.13 16.42 8.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 46.6 mtp -131.63 4.35 4.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.479 ' HG2' HD11 ' A' ' 21' ' ' LEU . 10.8 tpp -77.16 -26.28 52.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.59 9.45 21.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -131.45 18.01 4.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.682 HD12 ' OD2' ' A' ' 47' ' ' ASP . 1.0 OUTLIER -128.58 -36.53 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.157 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.682 ' OD2' HD12 ' A' ' 46' ' ' ILE . 41.6 m-20 -154.76 -67.73 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.555 HG21 HD12 ' A' ' 21' ' ' LEU . 20.9 m -47.33 119.35 2.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -70.51 -27.51 64.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.798 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 150.46 -16.08 0.98 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.511 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -50.57 -41.7 54.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.842 0.353 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 103.25 23.4 8.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.497 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -149.77 173.05 14.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.856 0.36 . . . . 0.0 110.859 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.644 HD12 ' HB2' ' A' ' 59' ' ' PHE . 4.9 pt -153.19 133.28 3.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -72.14 -65.73 0.74 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -162.22 -53.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -57.36 -45.71 84.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -62.92 -16.7 60.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.644 ' HB2' HD12 ' A' ' 54' ' ' ILE . 13.9 t80 -92.16 -35.25 13.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 36.8 mm -74.64 -35.79 38.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.121 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -49.58 -61.13 2.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.805 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.652 ' CB ' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -69.1 -13.85 62.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.91 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 36.3 t -80.75 56.9 2.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 37.7 m-20 -52.94 -38.95 62.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 48.16 32.5 3.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.566 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -82.16 -66.55 0.22 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.606 0.717 . . . . 0.0 110.902 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.566 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.8 Cg_endo -69.7 -10.03 27.59 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.681 2.254 . . . . 0.0 112.382 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 97.74 38.54 4.13 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.498 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.563 HD23 ' HG2' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -89.4 -29.21 19.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.819 0.342 . . . . 0.0 110.911 -179.911 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.465 ' HG2' ' HG ' ' A' ' 69' ' ' LEU . 56.6 mmm -111.28 -22.34 11.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 35.8 tttt -80.52 -31.78 37.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.425 ' O ' HG23 ' A' ' 76' ' ' VAL . 4.3 t70 -100.93 26.85 6.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.823 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -123.55 -28.21 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.087 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.506 ' HB1' ' HB3' ' A' ' 6' ' ' ARG . . . -81.79 -10.98 59.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -104.19 -23.8 13.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 72' ' ' ASP . 54.8 t -51.8 -67.92 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 11.8 t80 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.981 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 77.9 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.782 0.325 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -125.76 -30.47 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -57.11 -32.45 66.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.0 tpp85 -72.28 -24.27 61.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.86 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.2 mt -89.23 -49.57 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -52.31 -58.46 6.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -55.87 -31.62 62.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.58 -31.35 70.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.442 ' C ' HG22 ' A' ' 19' ' ' ILE . 37.4 m-85 -99.67 0.84 42.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -110.56 38.0 2.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.7 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 -179.875 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -92.2 168.49 11.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 0.0 110.829 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.576 HD12 HD12 ' A' ' 24' ' ' LEU . 27.8 pt -127.25 133.15 68.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.513 ' HG ' ' HE2' ' A' ' 53' ' ' PHE . 0.9 OUTLIER -67.96 97.86 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.813 -179.892 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.432 HD21 ' N ' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -49.07 -44.15 41.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.937 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.3 t -48.63 -30.36 5.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 -90.51 -30.11 17.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.576 HD12 HD12 ' A' ' 19' ' ' ILE . 10.4 tt -71.63 -54.84 9.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.67 ' HA ' HD12 ' A' ' 28' ' ' LEU . 12.8 t -52.99 -27.78 20.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -93.61 -22.75 18.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.62 20.67 7.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.115 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.67 HD12 ' HA ' ' A' ' 25' ' ' THR . 2.5 mt -101.2 -49.5 4.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.28 -44.72 68.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.82 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.2 t -62.98 -16.22 58.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.649 HD22 ' HA ' ' A' ' 77' ' ' PHE . 26.9 mt -109.0 25.69 11.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 59.62 74.89 0.31 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.466 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.2 m -116.56 175.2 5.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.96 0.409 . . . . 0.0 110.848 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.6 p -49.44 -67.98 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.168 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.537 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 2.9 m -147.1 -43.53 0.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.582 ' HB1' ' O ' ' A' ' 25' ' ' THR . . . 73.36 -0.71 3.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.056 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -108.45 -5.89 16.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -85.03 -56.49 3.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.412 ' O ' HG22 ' A' ' 39' ' ' VAL . 3.6 p -76.9 -16.93 14.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.184 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.9 -28.09 8.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.72 16.14 11.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 8.8 mtt -138.15 17.36 2.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.559 ' SD ' HD11 ' A' ' 46' ' ' ILE . 14.5 tpt -81.09 -22.31 39.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.59 -4.96 52.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -109.11 12.52 25.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.559 HD11 ' SD ' ' A' ' 43' ' ' MET . 1.1 pt -117.93 -18.86 6.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -179.35 -62.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.6 m -49.42 120.12 3.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.101 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -62.38 -33.53 74.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 149.6 -14.77 1.07 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.454 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -49.49 -35.3 19.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.807 0.337 . . . . 0.0 110.829 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.84 22.12 11.37 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.459 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.513 ' HE2' ' HG ' ' A' ' 20' ' ' SER . 83.3 m-85 -146.78 170.84 16.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.859 0.362 . . . . 0.0 110.887 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.627 HD12 ' HB2' ' A' ' 59' ' ' PHE . 3.3 pt -154.48 129.7 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -63.61 -73.41 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -156.69 -54.11 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -54.76 -48.51 72.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.409 ' CB ' HG22 ' A' ' 54' ' ' ILE . 1.4 mt-10 -63.11 -25.51 68.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.627 ' HB2' HD12 ' A' ' 54' ' ' ILE . 6.5 t80 -79.59 -36.19 38.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 35.4 mm -78.73 -23.42 13.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.13 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 83.9 p -51.04 -51.28 54.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.452 ' HB3' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -93.1 -23.9 18.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 48.9 t -90.45 63.35 5.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -90.0 -13.28 36.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.746 ' HB2' ' HB2' ' A' ' 70' ' ' MET . . . 45.74 52.32 9.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.098 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.574 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -79.08 -66.66 0.27 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.652 0.739 . . . . 0.0 110.903 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.574 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.3 Cg_endo -69.73 -10.27 28.16 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.725 2.284 . . . . 0.0 112.318 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.89 37.62 3.86 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.533 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.682 HD12 ' CE ' ' A' ' 70' ' ' MET . 0.6 OUTLIER -89.31 -32.46 17.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.79 0.329 . . . . 0.0 110.886 -179.905 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.746 ' HB2' ' HB2' ' A' ' 65' ' ' ALA . 8.1 mmt -109.2 -21.3 12.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.504 ' HB3' ' HB1' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -75.62 -28.41 58.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.909 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -104.69 25.22 10.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -124.04 -30.31 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.401 ' HB2' ' O ' ' A' ' 3' ' ' ASP . . . -54.91 -30.49 58.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.8 -13.65 31.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.459 HG12 ' N ' ' A' ' 77' ' ' PHE . 5.9 t -88.05 160.99 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.08 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.649 ' HA ' HD22 ' A' ' 31' ' ' LEU . 36.7 m-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 27.6 m-20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.769 0.318 . . . . 0.0 110.825 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -121.52 -28.23 4.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -69.3 -15.41 63.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.9 tpp85 -88.67 -17.24 30.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.554 HG22 ' CE2' ' A' ' 11' ' ' PHE . 0.9 OUTLIER -105.85 -39.83 5.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -53.53 -64.16 0.91 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp -55.73 -35.49 66.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -56.83 -48.75 77.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.554 ' CE2' HG22 ' A' ' 7' ' ' ILE . 39.7 m-85 -78.99 -23.25 44.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -81.02 57.5 3.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.4 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 -179.915 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 mtmm -135.79 174.99 10.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.773 0.32 . . . . 0.0 110.876 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.668 HD12 HD12 ' A' ' 24' ' ' LEU . 25.9 pt -127.15 138.15 55.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.414 ' CB ' ' HB2' ' A' ' 23' ' ' GLU . 45.9 m -52.7 113.96 1.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.549 ' CD2' ' C ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -67.51 -66.45 0.56 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.0 t -47.87 -21.13 0.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.414 ' HB2' ' CB ' ' A' ' 20' ' ' SER . 29.0 mm-40 -89.71 -30.73 17.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.668 HD12 HD12 ' A' ' 19' ' ' ILE . 10.4 tt -70.0 -54.46 13.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.591 ' HA ' HD12 ' A' ' 28' ' ' LEU . 15.4 t -53.06 -25.6 13.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.113 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -97.53 -20.71 17.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.17 17.7 10.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.591 HD12 ' HA ' ' A' ' 25' ' ' THR . 2.2 mt -99.32 -55.99 2.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.952 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.492 ' CD ' ' HB3' ' A' ' 36' ' ' ALA . 1.6 mtp85 -52.72 -34.41 52.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.412 HG23 ' N ' ' A' ' 31' ' ' LEU . 6.6 t -58.45 -42.38 87.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.412 ' N ' HG23 ' A' ' 30' ' ' THR . 11.9 mt -69.08 -22.36 64.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.972 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 115.03 55.84 0.37 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.521 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.4 p -113.99 178.73 4.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.936 0.398 . . . . 0.0 110.85 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.75 9.99 2.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.174 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.1 t -131.78 45.78 2.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.492 ' HB3' ' CD ' ' A' ' 29' ' ' ARG . . . -92.54 -37.52 12.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.102 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.6 -1.45 57.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -85.87 -52.35 5.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.424 HG22 ' HB2' ' A' ' 43' ' ' MET . 3.1 p -80.7 -16.55 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.576 ' HG2' HG21 ' A' ' 25' ' ' THR . 0.0 OUTLIER -51.59 -26.74 9.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.33 15.37 10.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 7.5 mmm -130.5 3.42 4.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.424 ' HB2' HG22 ' A' ' 39' ' ' VAL . 26.7 tpp -75.83 -25.77 56.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.44 11.68 18.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.05 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -133.19 17.75 4.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.697 HD12 ' OD2' ' A' ' 47' ' ' ASP . 0.9 OUTLIER -126.79 -35.96 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.146 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.697 ' OD2' HD12 ' A' ' 46' ' ' ILE . 31.0 m-20 -155.18 -65.13 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.75 117.09 2.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -73.5 -19.69 60.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 142.71 -10.42 2.38 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.464 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -48.27 -34.87 11.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.904 0.383 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 101.28 -3.06 54.48 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.492 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -137.35 175.82 9.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.818 0.342 . . . . 0.0 110.877 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.658 HD12 ' HB2' ' A' ' 59' ' ' PHE . 6.8 pt -147.31 134.08 13.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -72.93 -64.39 0.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -166.02 -52.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -54.55 -43.11 71.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -70.03 -15.86 63.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.658 ' HB2' HD12 ' A' ' 54' ' ' ILE . 7.2 t80 -91.18 -34.97 14.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 36.8 mm -78.68 -34.34 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 t -50.49 -60.22 3.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.648 ' CB ' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -68.13 -13.57 62.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.843 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 23.9 t -81.28 56.16 2.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 55.4 m-20 -54.15 -38.76 65.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 51.11 30.81 5.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.552 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -81.88 -65.85 0.24 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.602 0.715 . . . . 0.0 110.883 -179.915 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.552 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.8 Cg_endo -69.74 -9.79 26.98 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.736 2.29 . . . . 0.0 112.322 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 97.52 33.72 5.8 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.448 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.551 HD23 ' HG2' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -84.54 -28.3 26.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.791 0.329 . . . . 0.0 110.861 -179.922 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.418 ' HG2' ' HG ' ' A' ' 69' ' ' LEU . 10.8 mmt -110.47 -21.96 11.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -81.55 -31.51 32.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -99.78 30.35 3.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.867 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -129.85 -28.26 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.431 ' HB2' HD11 ' A' ' 7' ' ' ILE . . . -86.75 1.37 52.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.058 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.17 -11.8 8.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 72.9 t -64.94 -74.46 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 3.2 t80 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.821 0.343 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.98 -30.53 3.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -53.79 -49.39 68.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.2 tpp180 -52.02 -26.0 9.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.882 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.592 HG22 ' CE2' ' A' ' 11' ' ' PHE . 0.8 OUTLIER -91.72 -48.37 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -50.76 -41.06 56.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -67.37 -32.16 72.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.933 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.17 -42.88 75.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.592 ' CE2' HG22 ' A' ' 7' ' ' ILE . 40.9 m-85 -78.68 -27.46 45.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.429 ' HA ' HG22 ' A' ' 19' ' ' ILE . 36.1 t0 -89.66 53.14 2.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.3 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.16 -179.912 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.0 mttm -68.7 -172.73 0.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.743 0.306 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.429 HG22 ' HA ' ' A' ' 12' ' ' ASP . 34.1 pt -146.01 148.98 16.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.123 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.7 m -65.42 83.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.713 ' O ' HD22 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -54.06 -44.69 71.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.499 ' N ' HD13 ' A' ' 21' ' ' LEU . 62.0 p -56.49 -11.55 1.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -105.59 -13.23 15.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.507 ' CD2' HD11 ' A' ' 28' ' ' LEU . 10.5 tt -71.8 -52.16 18.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.722 ' OG1' HG13 ' A' ' 39' ' ' VAL . 11.9 t -55.15 -25.11 30.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -97.95 -20.88 17.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -92.83 15.96 13.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.077 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.6 HD12 ' HA ' ' A' ' 25' ' ' THR . 2.0 mt -96.79 -55.33 2.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.7 ttp85 -55.13 -35.32 64.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.83 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.0 t -64.14 -15.58 60.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 24.1 mt -104.75 15.74 27.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.0 52.85 3.32 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.461 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.5 m -118.42 156.47 28.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.917 0.389 . . . . 0.0 110.883 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.73 3.55 10.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.3 t -126.45 53.17 1.67 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.818 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.07 -36.78 12.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.077 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.423 ' HA ' ' HB2' ' A' ' 40' ' ' GLN . 69.0 m-20 -70.96 -30.62 66.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -55.7 -55.01 37.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.722 HG13 ' OG1' ' A' ' 25' ' ' THR . 6.2 p -75.82 -23.18 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.423 ' HB2' ' HA ' ' A' ' 37' ' ' ASP . 0.1 OUTLIER -53.89 -23.97 14.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -121.94 15.74 10.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.646 ' O ' HG23 ' A' ' 46' ' ' ILE . 13.7 mtt -144.84 19.5 1.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.703 ' HB2' HD11 ' A' ' 21' ' ' LEU . 4.5 ptt? -76.67 -26.93 55.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -97.69 5.75 48.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.085 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -119.36 -10.57 9.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.937 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.646 HG23 ' O ' ' A' ' 42' ' ' MET . 1.3 pt -79.35 -26.39 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.14 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.0 -45.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 89.6 m -50.54 118.64 3.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -51.95 -75.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -172.56 42.39 0.17 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.512 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -113.42 -38.0 4.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.804 0.335 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.03 23.03 9.45 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.499 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -145.17 173.22 12.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.818 0.342 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.692 HD12 ' HB2' ' A' ' 59' ' ' PHE . 5.7 pt -152.95 164.51 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.155 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -101.66 -66.69 0.9 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -162.55 -49.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -56.71 -54.34 47.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -62.37 -21.82 65.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.692 ' HB2' HD12 ' A' ' 54' ' ' ILE . 6.7 t80 -79.35 -36.54 39.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.412 ' HA ' ' HB2' ' A' ' 63' ' ' CYS . 46.9 mm -79.6 -19.63 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.37 -46.27 80.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -94.94 -20.16 19.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.412 ' HB2' ' HA ' ' A' ' 60' ' ' ILE . 55.9 m -88.33 50.47 1.98 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -82.7 -11.71 58.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.813 ' HB2' ' HB2' ' A' ' 70' ' ' MET . . . 50.03 62.72 2.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.565 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -83.97 -66.52 0.21 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.61 0.719 . . . . 0.0 110.88 -179.91 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.64 ' HG2' HD23 ' A' ' 69' ' ' LEU . 53.6 Cg_endo -69.75 -36.75 10.24 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.691 2.261 . . . . 0.0 112.354 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 132.52 36.38 0.29 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.474 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.64 HD23 ' HG2' ' A' ' 67' ' ' PRO . 0.6 OUTLIER -86.96 -31.84 20.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.801 0.334 . . . . 0.0 110.918 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.813 ' HB2' ' HB2' ' A' ' 65' ' ' ALA . 48.4 mmm -108.06 -21.66 12.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -77.72 -26.35 49.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -116.3 40.54 2.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -137.58 -31.97 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.6 -20.96 23.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.079 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.16 -9.28 16.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.474 HG12 ' N ' ' A' ' 77' ' ' PHE . 12.6 t -88.7 160.52 2.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.474 ' N ' HG12 ' A' ' 76' ' ' VAL . 56.6 t80 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.761 0.315 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -165.61 145.65 6.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.511 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 74.2 m-20 -97.49 -50.51 4.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -119.78 -30.04 4.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -57.38 -31.68 66.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.581 ' HB3' ' HB1' ' A' ' 74' ' ' ALA . 20.0 tpp180 -69.8 -17.69 63.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.538 HG22 ' CE2' ' A' ' 11' ' ' PHE . 1.0 OUTLIER -103.45 -40.11 6.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.182 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -54.23 -63.22 1.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -55.66 -26.7 45.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -67.62 -48.52 66.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.538 ' CE2' HG22 ' A' ' 7' ' ' ILE . 42.5 m-85 -78.94 -22.78 45.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.912 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -81.72 57.18 3.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.7 p -123.36 18.11 9.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 -76.95 -61.47 1.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 156.96 -26.92 0.51 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -83.87 -64.99 1.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.816 0.341 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 153.89 -21.41 0.69 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.482 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 48.1 mttt -91.54 168.44 11.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.83 0.348 . . . . 0.0 110.855 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.546 HD12 HD12 ' A' ' 24' ' ' LEU . 26.4 pt -124.41 133.68 68.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.179 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.509 ' HG ' ' HE2' ' A' ' 53' ' ' PHE . 0.7 OUTLIER -67.67 99.77 0.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.825 -179.858 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.446 HD11 HG21 ' A' ' 48' ' ' THR . 0.0 OUTLIER -49.09 -46.02 44.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 88.6 p -49.63 -30.27 8.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -87.91 -31.71 19.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.546 HD12 HD12 ' A' ' 19' ' ' ILE . 10.4 tt -71.75 -54.32 10.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.626 ' HA ' HD12 ' A' ' 28' ' ' LEU . 10.2 t -54.05 -25.3 20.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -97.91 -18.75 18.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.825 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.52 18.79 13.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.102 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.626 HD12 ' HA ' ' A' ' 25' ' ' THR . 1.8 mt -98.56 -59.91 1.65 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.463 ' NH1' ' HB3' ' A' ' 36' ' ' ALA . 4.1 mtm-85 -55.24 -34.67 64.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.8 t -62.47 -16.53 55.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.162 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.2 mt -95.45 -20.02 19.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 130.97 1.88 4.85 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.543 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 p -59.91 -169.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.929 0.395 . . . . 0.0 110.882 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.58 -50.6 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.158 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 p -87.55 53.69 2.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.463 ' HB3' ' NH1' ' A' ' 29' ' ' ARG . . . -79.64 -34.59 40.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.082 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.413 ' HA ' ' HB2' ' A' ' 40' ' ' GLN . 31.2 t70 -71.35 -22.54 61.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -55.39 -30.6 60.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.4 p -112.48 -22.26 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.413 ' HB2' ' HA ' ' A' ' 37' ' ' ASP . 0.5 OUTLIER -54.62 -23.84 18.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.924 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.67 6.02 11.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.53 ' O ' HG23 ' A' ' 46' ' ' ILE . 6.8 mtm -137.86 28.02 2.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.2 ptt? -83.52 -12.43 56.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.915 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -107.2 3.19 25.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -118.99 -8.74 10.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.53 HG23 ' O ' ' A' ' 42' ' ' MET . 1.3 pt -81.95 -28.31 9.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 178.93 -47.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.446 HG21 HD11 ' A' ' 21' ' ' LEU . 92.1 m -48.7 124.16 7.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.186 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -63.51 -37.39 87.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 155.83 -18.91 0.49 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.526 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -49.55 -45.29 47.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.856 0.36 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.96 22.44 6.59 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.492 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.509 ' HE2' ' HG ' ' A' ' 20' ' ' SER . 81.1 m-85 -145.0 170.88 15.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.834 0.349 . . . . 0.0 110.87 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.646 HD12 ' HA ' ' A' ' 59' ' ' PHE . 4.4 pt -154.57 134.85 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.132 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -71.54 -71.72 0.25 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -157.54 -52.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.71 -45.7 74.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -72.67 -22.82 60.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.646 ' HA ' HD12 ' A' ' 54' ' ' ILE . 10.0 t80 -77.21 -36.2 55.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 27.7 mm -78.85 -24.07 13.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.2 m -60.16 -24.28 64.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -102.19 -18.76 15.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 89.3 m -84.64 53.85 2.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -52.91 -39.22 62.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.502 ' HB2' ' HB2' ' A' ' 70' ' ' MET . . . 54.76 27.95 9.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.08 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.529 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -78.87 -64.59 0.35 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.606 0.717 . . . . 0.0 110.897 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.529 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.5 Cg_endo -69.76 -10.45 28.58 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.695 2.263 . . . . 0.0 112.359 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 101.62 26.23 7.74 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.469 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.519 HD23 ' HG2' ' A' ' 67' ' ' PRO . 0.6 OUTLIER -77.93 -25.85 48.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.788 0.328 . . . . 0.0 110.956 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.502 ' HB2' ' HB2' ' A' ' 65' ' ' ALA . 21.2 mmt -117.67 -22.23 8.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -76.15 -18.45 59.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -131.01 41.64 3.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.892 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -131.98 -29.28 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.581 ' HB1' ' HB3' ' A' ' 6' ' ' ARG . . . -80.05 -5.03 55.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.109 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.23 -14.7 10.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.5 t -51.42 -73.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 14.1 t80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.971 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.795 0.331 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -129.09 175.43 8.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -123.07 -34.98 3.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -121.48 -27.23 4.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.2 mp0 -68.94 -30.57 69.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.494 ' HB3' ' HB1' ' A' ' 74' ' ' ALA . 12.8 tpt180 -69.25 -22.09 63.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.562 HG22 ' CE2' ' A' ' 11' ' ' PHE . 1.1 mt -96.53 -48.74 12.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.164 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -50.87 -57.97 7.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -56.39 -31.82 64.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -31.32 71.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.562 ' CE2' HG22 ' A' ' 7' ' ' ILE . 33.4 m-85 -99.67 1.33 43.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -113.07 58.4 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.828 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.1 p -92.73 34.87 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.138 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -109.44 -35.4 6.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 139.84 50.36 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.7 t0 60.26 68.68 0.75 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.826 0.346 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -134.58 -94.74 0.5 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.475 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -138.7 168.67 19.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.757 0.313 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.425 HG12 HG13 ' A' ' 54' ' ' ILE . 23.9 pt -127.21 135.11 64.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.56 100.01 0.83 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.521 HD13 ' HG2' ' A' ' 43' ' ' MET . 0.0 OUTLIER -49.28 -47.09 47.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.6 t -50.03 -30.36 10.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -84.41 -31.89 24.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.946 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.524 ' CD2' HD11 ' A' ' 28' ' ' LEU . 10.4 tt -72.32 -54.83 8.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.654 ' HA ' HD12 ' A' ' 28' ' ' LEU . 9.5 t -53.39 -26.69 20.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -95.86 -20.28 18.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.18 21.89 8.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.064 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.654 HD12 ' HA ' ' A' ' 25' ' ' THR . 1.9 mt -101.46 -55.65 2.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.925 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -55.45 -30.82 61.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.411 HG23 ' N ' ' A' ' 31' ' ' LEU . 7.7 t -64.15 -41.65 97.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.411 ' N ' HG23 ' A' ' 30' ' ' THR . 13.3 mt -67.38 -22.53 65.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.508 ' HA3' HG11 ' A' ' 76' ' ' VAL . . . 151.21 -27.09 0.99 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.46 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.31 169.87 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.963 0.411 . . . . 0.0 110.843 -179.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.75 -51.11 0.79 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.122 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.2 t -88.68 50.32 1.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.82 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.55 -20.19 64.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.149 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.413 ' HA ' ' CB ' ' A' ' 40' ' ' GLN . 8.1 t70 -72.05 -8.24 53.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.866 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -52.76 -29.7 28.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.0 p -124.97 -19.18 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.134 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.413 ' CB ' ' HA ' ' A' ' 37' ' ' ASP . 4.5 tm0? -53.69 -24.06 13.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -104.89 -8.98 18.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.4 mtt -138.48 49.38 1.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.521 ' HG2' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -98.43 -23.78 15.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -97.58 -2.09 42.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.08 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -111.41 16.6 20.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -116.86 -22.79 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.119 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 179.71 -53.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.497 HG21 HD11 ' A' ' 21' ' ' LEU . 21.8 m -48.93 114.34 0.97 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.86 -52.39 60.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 168.09 -23.33 0.11 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.486 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -46.05 -35.44 4.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.835 0.35 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 101.41 23.01 9.85 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.457 ' N ' HD21 ' A' ' 21' ' ' LEU . 84.3 m-85 -143.53 171.58 13.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.803 0.335 . . . . 0.0 110.903 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.622 HD12 ' HB2' ' A' ' 59' ' ' PHE . 3.1 pt -153.66 132.53 3.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.161 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -65.34 -73.86 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -156.74 -52.92 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.855 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -54.74 -49.68 70.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -62.56 -24.71 67.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.622 ' HB2' HD12 ' A' ' 54' ' ' ILE . 23.2 t80 -81.7 -35.56 29.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 47.1 mm -81.04 -26.68 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.155 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.5 t -51.57 -53.94 32.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -77.91 -11.93 59.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 27.9 t -80.23 57.21 2.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -52.37 -39.84 61.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 48.5 33.63 4.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.073 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.553 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 1.8 m-80 -86.14 -65.46 0.2 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.617 0.722 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.556 ' HG2' HD23 ' A' ' 69' ' ' LEU . 53.4 Cg_endo -69.75 -36.16 11.35 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.697 2.265 . . . . 0.0 112.306 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 132.06 29.37 0.56 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.516 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.556 HD23 ' HG2' ' A' ' 67' ' ' PRO . 0.5 OUTLIER -80.1 -29.1 38.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.788 0.328 . . . . 0.0 110.929 -179.922 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 8.1 mmt -116.66 -21.53 9.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 52.4 tttt -79.11 -18.76 52.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -125.75 44.92 2.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -136.59 -30.84 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.494 ' HB1' ' HB3' ' A' ' 6' ' ' ARG . . . -85.28 -1.69 57.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.87 -15.79 8.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.508 HG11 ' HA3' ' A' ' 32' ' ' GLY . 75.1 t -51.54 -73.58 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.152 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 22.8 t80 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 179.975 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.751 0.31 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -54.7 -75.03 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.854 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.404 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 0.2 OUTLIER 69.6 8.72 6.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.01 -20.25 5.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -76.01 -29.55 58.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.451 ' HB3' ' HB1' ' A' ' 74' ' ' ALA . 21.8 tpp180 -69.66 -23.42 63.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.582 HG22 ' CE2' ' A' ' 11' ' ' PHE . 1.2 mt -92.16 -48.4 13.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -50.78 -52.18 43.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -56.3 -27.29 55.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.64 -46.85 35.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.582 ' CE2' HG22 ' A' ' 7' ' ' ILE . 43.3 m-85 -72.81 -29.37 63.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -81.06 57.79 3.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.7 p -99.44 2.92 45.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.113 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -77.62 -67.03 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 140.03 -29.32 2.44 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.501 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -61.49 -45.1 95.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.88 0.371 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 120.14 21.21 3.49 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.446 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.0 mttp -135.31 148.87 49.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.734 0.302 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.542 HD12 HD12 ' A' ' 24' ' ' LEU . 24.0 pt -118.42 133.27 65.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.18 102.44 1.04 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.664 ' O ' HG22 ' A' ' 25' ' ' THR . 0.0 OUTLIER -49.1 -44.13 41.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 t -49.11 -29.77 5.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -88.71 -31.43 18.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.55 HD11 ' HE1' ' A' ' 59' ' ' PHE . 10.2 tt -74.5 -56.5 4.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.69 ' HA ' HD12 ' A' ' 28' ' ' LEU . 6.4 t -52.44 -28.34 19.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.165 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -90.72 -23.74 20.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.87 25.74 3.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.109 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.69 HD12 ' HA ' ' A' ' 25' ' ' THR . 3.0 mt -107.23 -48.52 3.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -16.53 60.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.436 HG23 ' N ' ' A' ' 31' ' ' LEU . 9.9 t -80.18 -42.29 23.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.436 ' N ' HG23 ' A' ' 30' ' ' THR . 14.1 mt -69.96 -22.84 63.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 127.72 33.97 0.58 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.512 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 72.9 m -83.03 -174.17 5.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.934 0.397 . . . . 0.0 110.869 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.36 -49.04 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.131 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.07 16.7 5.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.84 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.31 -36.82 44.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.134 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.475 ' HA ' ' HB2' ' A' ' 40' ' ' GLN . 11.5 t70 -76.15 -28.01 57.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -54.37 -30.2 51.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.487 HG11 ' HE2' ' A' ' 62' ' ' PHE . 4.6 p -109.55 -21.76 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.15 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.475 ' HB2' ' HA ' ' A' ' 37' ' ' ASP . 1.2 tm0? -53.5 -24.49 13.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.58 15.87 13.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 8.6 mtm -150.61 30.04 0.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.63 ' HG2' HD13 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -89.11 -20.59 24.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -95.95 9.89 39.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.91 17.16 6.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.557 HD13 ' HB2' ' A' ' 62' ' ' PHE . 1.1 pt -115.24 -23.87 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.154 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.68 -45.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.61 HG21 HD11 ' A' ' 21' ' ' LEU . 30.2 m -50.5 112.72 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -119.7 -15.72 8.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -65.72 -114.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.515 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -122.56 -5.87 8.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.841 0.353 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 138.96 41.76 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.457 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.475 ' N ' HD21 ' A' ' 21' ' ' LEU . 51.6 m-85 -141.23 172.18 13.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 110.848 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.655 HD12 ' HB2' ' A' ' 59' ' ' PHE . 4.6 pt -150.82 124.99 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.171 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -56.79 -72.07 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -162.62 -51.48 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -56.0 -45.48 79.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -62.29 -31.0 71.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.655 ' HB2' HD12 ' A' ' 54' ' ' ILE . 33.6 t80 -71.6 -35.0 70.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 24.9 mm -79.29 -28.48 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.109 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.6 t -59.75 -55.33 35.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.827 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.557 ' HB2' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -69.97 -12.19 61.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.877 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 1.7 m -81.36 57.08 3.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -51.05 -40.95 59.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.641 ' HB1' ' HB2' ' A' ' 71' ' ' LYS . . . 47.42 47.73 16.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.569 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.9 OUTLIER -88.46 -66.79 0.15 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.598 0.713 . . . . 0.0 110.89 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.569 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.9 Cg_endo -69.73 -38.16 8.24 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.659 2.239 . . . . 0.0 112.347 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 136.05 37.8 0.18 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.511 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.592 HD12 ' HE3' ' A' ' 70' ' ' MET . 0.6 OUTLIER -96.35 -27.51 14.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 0.0 110.9 -179.895 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.592 ' HE3' HD12 ' A' ' 69' ' ' LEU . 6.4 mmt -125.25 -2.13 7.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.641 ' HB2' ' HB1' ' A' ' 65' ' ' ALA . 35.8 tttm -98.31 -22.32 16.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.45 ' O ' HG23 ' A' ' 76' ' ' VAL . 0.4 OUTLIER -141.88 52.81 1.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -124.21 -27.57 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.451 ' HB1' ' HB3' ' A' ' 6' ' ' ARG . . . -83.85 -1.19 53.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.96 -9.82 9.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 72' ' ' ASP . 24.7 t -55.04 -63.02 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.505 ' HB1' ' CG ' ' A' ' 6' ' ' ARG . . . . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.785 0.326 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -124.87 -167.03 1.61 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.821 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -50.35 -31.53 14.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -128.79 -32.2 2.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -58.01 -32.05 67.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.879 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.505 ' CG ' ' HB1' ' A' ' 1' ' ' ALA . 38.3 ttt180 -70.75 -24.28 62.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.477 HG22 ' CE2' ' A' ' 11' ' ' PHE . 1.7 mt -91.06 -49.25 13.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.165 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -52.98 -41.12 64.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.9 mmtt -67.96 -29.3 68.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -72.57 -43.51 63.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.942 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.477 ' CE2' HG22 ' A' ' 7' ' ' ILE . 42.0 m-85 -79.02 -22.02 46.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -95.41 20.87 8.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.5 p -56.26 -35.32 67.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.127 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -51.65 -33.66 34.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.43 -16.31 60.02 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.529 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -52.13 -29.48 22.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.858 0.361 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 112.96 -48.47 0.93 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.477 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.0 mttm -91.04 168.1 11.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.75 0.31 . . . . 0.0 110.937 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.62 HD12 HD12 ' A' ' 24' ' ' LEU . 28.6 pt -127.13 133.43 68.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.1 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.81 95.88 0.54 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.478 HD21 ' N ' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -45.51 -44.42 12.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.902 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.4 t -47.1 -44.05 20.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -77.78 -27.97 50.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.62 HD12 HD12 ' A' ' 19' ' ' ILE . 10.3 tt -70.79 -55.32 8.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.675 ' OG1' HG13 ' A' ' 39' ' ' VAL . 7.1 t -54.04 -25.6 22.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -96.57 -18.67 19.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.825 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -100.31 24.79 8.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.671 HD12 ' HA ' ' A' ' 25' ' ' THR . 3.2 mt -102.76 -51.71 3.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.46 -35.28 12.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.408 HG23 ' N ' ' A' ' 31' ' ' LEU . 7.1 t -65.41 -41.68 93.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.408 ' N ' HG23 ' A' ' 30' ' ' THR . 15.7 mt -67.86 -21.79 65.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 124.24 -29.2 5.13 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.53 157.94 0.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.935 0.397 . . . . 0.0 110.859 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -115.68 4.36 14.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.145 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.7 p -97.95 46.47 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.87 -55.65 3.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.088 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -76.66 -3.14 36.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -86.53 -21.99 26.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.675 HG13 ' OG1' ' A' ' 25' ' ' THR . 3.8 p -116.7 -20.84 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -54.05 -24.73 18.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.37 5.63 13.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.5 mtt -141.24 34.44 1.7 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.9 ptt? -88.09 -19.24 27.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -101.43 5.75 42.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.125 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -127.08 22.72 6.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.1 pt -115.53 -26.25 2.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 179.66 -54.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.446 HG21 ' HA2' ' A' ' 52' ' ' GLY . 13.6 m -50.18 126.45 14.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -119.8 -16.94 8.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -76.3 -128.5 0.29 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.48 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -84.87 -41.65 15.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.851 0.358 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.446 ' HA2' HG21 ' A' ' 48' ' ' THR . . . 156.89 56.53 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.462 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.478 ' N ' HD21 ' A' ' 21' ' ' LEU . 51.0 m-85 -141.63 170.71 15.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.793 0.33 . . . . 0.0 110.903 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.619 HD12 ' HB2' ' A' ' 59' ' ' PHE . 4.8 pt -154.12 126.6 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -61.15 -70.22 0.19 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -161.55 -48.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -56.16 -51.67 67.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -62.52 -27.88 69.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.619 ' HB2' HD12 ' A' ' 54' ' ' ILE . 9.5 t80 -72.07 -26.86 62.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 39.2 mm -85.12 -29.38 6.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 39.7 t -51.39 -55.03 20.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.83 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -77.25 -14.13 59.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 18.5 t -83.81 54.78 3.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -53.28 -39.9 64.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 49.68 41.77 22.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.122 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.565 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -85.89 -66.0 0.2 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.647 0.737 . . . . 0.0 110.922 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.565 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.5 Cg_endo -69.84 -36.86 9.82 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.614 2.209 . . . . 0.0 112.359 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 133.11 34.55 0.32 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.446 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.56 HD23 ' HG2' ' A' ' 67' ' ' PRO . 0.5 OUTLIER -82.68 -32.74 27.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.852 0.358 . . . . 0.0 110.933 -179.922 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.449 ' HE3' HD12 ' A' ' 69' ' ' LEU . 5.3 mmt -115.57 -21.7 9.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -82.82 -32.12 27.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -99.9 30.33 3.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.894 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.401 ' HA ' HG23 ' A' ' 76' ' ' VAL . 0.3 OUTLIER -129.27 -32.57 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.06 -29.74 63.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.8 mmmt -90.92 -14.08 32.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.458 HG12 ' H ' ' A' ' 77' ' ' PHE . 2.5 t -88.62 165.49 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.458 ' H ' HG12 ' A' ' 76' ' ' VAL . 14.9 t80 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.816 0.341 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -157.59 165.88 34.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.503 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 11.8 p-10 -120.55 -41.17 2.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -118.64 -26.56 6.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -58.25 -50.2 74.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 33.3 ttt85 -57.57 -24.28 55.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.884 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.406 HG22 ' CE2' ' A' ' 11' ' ' PHE . 2.0 mt -85.4 -51.04 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -51.27 -59.9 3.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -51.9 -30.98 26.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.58 -48.4 60.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.845 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.569 ' C ' HG22 ' A' ' 19' ' ' ILE . 39.4 m-85 -80.12 0.15 33.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -98.01 49.44 1.01 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.2 p -106.97 18.95 21.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.166 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -77.63 -45.34 25.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 122.2 11.57 5.65 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.524 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -122.73 -44.27 2.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.821 0.343 . . . . 0.0 110.856 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 134.17 -15.96 4.46 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.471 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.1 mtmt -91.2 -178.55 5.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.789 0.328 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.569 HG22 ' C ' ' A' ' 11' ' ' PHE . 36.0 pt -145.21 134.64 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.04 104.05 1.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.462 ' O ' HG22 ' A' ' 25' ' ' THR . 0.0 OUTLIER -49.96 -49.26 50.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.92 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.9 t -50.59 -29.98 12.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.801 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -84.12 -31.43 25.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.51 ' CD2' HD11 ' A' ' 28' ' ' LEU . 10.4 tt -75.32 -55.33 5.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.954 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.645 ' HA ' HD12 ' A' ' 28' ' ' LEU . 9.2 t -53.13 -26.11 15.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -95.43 -22.23 17.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.414 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . . . -94.26 21.27 7.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.079 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.645 HD12 ' HA ' ' A' ' 25' ' ' THR . 1.8 mt -101.16 -52.14 3.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 44.7 ttt180 -57.05 -22.15 36.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.3 t -79.49 -15.02 58.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.2 mt -94.99 4.78 53.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.465 ' HA3' HG11 ' A' ' 76' ' ' VAL . . . 105.15 19.92 10.24 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.47 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 m -92.96 161.87 14.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.91 0.386 . . . . 0.0 110.827 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.38 9.19 3.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.103 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.2 m -132.65 36.49 3.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.827 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.562 ' HB1' ' O ' ' A' ' 25' ' ' THR . . . -81.97 -37.46 26.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.086 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.416 ' HA ' ' HB2' ' A' ' 40' ' ' GLN . 19.2 t70 -68.47 -26.55 65.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.823 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -55.3 -52.43 63.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.442 ' O ' HG22 ' A' ' 39' ' ' VAL . 5.9 p -85.72 -13.7 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.416 ' HB2' ' HA ' ' A' ' 37' ' ' ASP . 0.6 OUTLIER -61.67 -15.38 39.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.921 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.43 10.99 14.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.423 ' HG2' ' HA ' ' A' ' 39' ' ' VAL . 0.6 OUTLIER -145.39 15.05 1.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.467 ' O ' HD11 ' A' ' 46' ' ' ILE . 1.3 tpt -80.61 -17.21 52.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.892 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -100.13 10.37 41.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.124 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -137.53 25.94 2.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.698 HD12 ' N ' ' A' ' 47' ' ' ASP . 1.5 pp -121.16 -26.16 2.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.165 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.698 ' N ' HD12 ' A' ' 46' ' ' ILE . 7.4 m-20 -159.82 -61.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.8 m -49.89 136.97 17.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -78.53 -75.33 0.23 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -162.57 57.9 0.29 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.5 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -132.76 -53.44 0.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.852 0.358 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 116.49 22.24 4.48 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.472 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.451 ' N ' HD21 ' A' ' 21' ' ' LEU . 55.2 m-85 -143.11 172.14 13.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 110.864 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.599 HD12 ' HB2' ' A' ' 59' ' ' PHE . 5.0 pt -153.91 132.58 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.122 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -67.48 -70.03 0.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -160.18 -53.34 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -54.21 -43.34 70.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.23 -16.5 62.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.599 ' HB2' HD12 ' A' ' 54' ' ' ILE . 11.7 t80 -89.59 -21.75 22.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 33.1 mm -93.25 -30.8 4.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.168 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.3 t -50.15 -60.49 2.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -72.39 -22.9 61.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 17.2 t -90.01 87.28 6.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -101.01 -12.29 18.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.522 ' HB1' ' HB2' ' A' ' 71' ' ' LYS . . . 44.92 42.19 5.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.088 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.57 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -84.66 -66.94 0.2 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.592 0.711 . . . . 0.0 110.902 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.57 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.6 Cg_endo -69.76 -10.11 27.75 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.689 2.26 . . . . 0.0 112.366 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.03 35.35 4.83 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.607 HD12 ' HE3' ' A' ' 70' ' ' MET . 0.6 OUTLIER -89.45 -28.34 19.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.79 0.328 . . . . 0.0 110.97 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.607 ' HE3' HD12 ' A' ' 69' ' ' LEU . 7.1 mmt -116.66 -21.34 9.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.522 ' HB2' ' HB1' ' A' ' 65' ' ' ALA . 22.7 tptt -80.32 -29.97 38.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -106.53 34.59 3.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -126.95 -29.22 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.169 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.503 ' HB2' ' O ' ' A' ' 3' ' ' ASP . . . -86.92 1.37 52.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.109 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -116.87 -22.32 8.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.465 HG11 ' HA3' ' A' ' 32' ' ' GLY . 80.4 t -60.67 -73.94 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.148 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 7.9 t80 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.979 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.746 0.308 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -61.43 158.13 15.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 84.8 m-20 -121.22 -35.32 3.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.42 -31.72 3.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -57.46 -49.78 75.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.91 -27.36 18.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.475 HG22 ' CE2' ' A' ' 11' ' ' PHE . 1.4 mt -90.53 -37.16 9.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -66.74 -37.34 84.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.3 mtpp -74.24 -22.56 59.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.57 -44.01 25.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.475 ' CE2' HG22 ' A' ' 7' ' ' ILE . 42.2 m-85 -79.21 -22.26 45.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -81.92 57.11 3.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -117.92 16.5 14.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.109 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -77.53 -48.17 17.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 134.51 -23.61 3.6 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.514 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -84.59 -46.0 11.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.875 0.369 . . . . 0.0 110.868 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 132.92 -21.4 4.18 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 41.6 mttt -91.33 166.86 12.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.735 0.302 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.453 HD11 ' CD1' ' A' ' 59' ' ' PHE . 29.9 pt -126.78 135.63 63.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.29 106.1 1.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.754 ' CD1' HG21 ' A' ' 48' ' ' THR . 0.0 OUTLIER -44.49 -50.47 9.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.933 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.6 t -49.24 -45.31 44.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.834 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -64.0 -30.94 71.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.512 ' CD2' HD11 ' A' ' 28' ' ' LEU . 9.9 tt -79.14 -58.37 3.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.73 ' OG1' HG13 ' A' ' 39' ' ' VAL . 11.1 t -54.49 -23.12 14.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -95.74 -18.6 20.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -103.62 28.47 6.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.069 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.713 HD21 ' HE1' ' A' ' 70' ' ' MET . 1.5 mt -105.93 -54.09 2.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.949 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.7 ttt-85 -56.71 -25.22 53.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.1 t -80.01 -15.82 56.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.121 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.3 mt -102.74 17.62 23.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.47 50.95 4.53 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.7 m -117.0 144.09 44.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.012 0.434 . . . . 0.0 110.856 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.86 -50.04 4.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.101 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.17 72.93 9.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -103.54 -53.18 2.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.137 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -61.93 -18.63 60.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -54.87 -29.45 55.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.73 HG13 ' OG1' ' A' ' 25' ' ' THR . 6.6 p -116.2 -23.22 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.131 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.7 tm0? -54.69 -23.01 15.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -117.62 10.14 13.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 11.0 mtt -147.18 31.55 0.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 11.4 ptt? -80.06 -26.18 39.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -91.78 15.15 13.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -138.82 26.46 2.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -118.63 -34.27 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -169.78 -64.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.754 HG21 ' CD1' ' A' ' 21' ' ' LEU . 9.9 t -48.18 164.31 0.05 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -152.13 -38.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -65.05 -146.07 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.447 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -49.15 -37.04 20.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.811 0.339 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 130.95 63.98 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.476 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -139.64 173.44 11.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.775 0.322 . . . . 0.0 110.888 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.702 HD12 ' HA ' ' A' ' 59' ' ' PHE . 6.6 pt -152.05 132.8 4.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.118 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -72.21 -59.28 2.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.413 ' CE1' HD11 ' A' ' 60' ' ' ILE . 13.9 t80 -169.04 -52.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -52.12 -45.27 64.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -73.72 -23.51 59.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.702 ' HA ' HD12 ' A' ' 54' ' ' ILE . 18.3 t80 -75.21 -35.31 61.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.413 HD11 ' CE1' ' A' ' 56' ' ' PHE . 27.2 mm -79.66 -30.45 13.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.1 t -52.22 -58.51 6.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.836 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -73.13 -14.67 61.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 30.4 t -79.93 57.82 2.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -52.85 -40.21 63.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 47.2 36.07 4.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.543 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 1.1 m-80 -84.88 -65.04 0.22 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.653 0.74 . . . . 0.0 110.926 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.543 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.6 Cg_endo -69.73 -37.21 9.55 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.638 2.225 . . . . 0.0 112.359 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 134.11 36.58 0.24 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.501 HD23 ' HG2' ' A' ' 67' ' ' PRO . 0.5 OUTLIER -85.37 -32.73 22.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.751 0.31 . . . . 0.0 110.874 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.713 ' HE1' HD21 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -119.45 -20.82 7.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.84 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -82.96 -31.78 27.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -105.36 34.94 3.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -132.48 -31.25 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.165 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 3' ' ' ASP . . . -57.48 -20.32 30.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.089 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.432 ' H ' ' HG3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -105.28 -9.84 17.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.478 HG12 ' N ' ' A' ' 77' ' ' PHE . 8.9 t -89.12 161.67 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.142 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.478 ' N ' HG12 ' A' ' 76' ' ' VAL . 32.0 p90 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.8 0.333 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -133.34 -175.63 3.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.856 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.453 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 2.3 m-20 -52.14 -33.21 39.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -122.78 -27.51 4.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -68.74 -26.54 65.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -74.01 -22.1 59.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.9 mt -94.24 -52.25 9.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.161 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -52.0 -40.79 61.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -68.84 -30.7 69.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.937 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.3 -43.98 66.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -79.2 -22.08 45.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -78.78 57.55 2.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.8 p -132.22 7.67 4.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -110.69 -65.31 1.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -76.76 -2.21 75.4 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.8 t0 63.99 22.58 13.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.801 0.334 . . . . 0.0 110.86 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -173.22 -60.95 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.478 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.6 mttm -92.28 -173.82 3.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.811 0.339 . . . . 0.0 110.848 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.459 HD12 HD12 ' A' ' 24' ' ' LEU . 46.2 pt -145.71 137.52 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.28 100.46 0.63 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.528 HD21 HG21 ' A' ' 48' ' ' THR . 0.0 OUTLIER -44.54 -54.79 5.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.3 p -49.9 -44.63 50.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -63.87 -31.18 72.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.506 HD23 ' CD1' ' A' ' 28' ' ' LEU . 9.9 tt -78.7 -58.74 3.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.65 ' HA ' HD12 ' A' ' 28' ' ' LEU . 9.4 t -54.33 -22.84 13.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -96.68 -19.66 18.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -100.07 24.34 8.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.65 HD12 ' HA ' ' A' ' 25' ' ' THR . 1.9 mt -103.68 -57.74 1.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.738 ' HD3' ' HB3' ' A' ' 36' ' ' ALA . 0.6 OUTLIER -57.32 -21.9 38.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.4 t -79.57 -15.12 58.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.437 ' O ' HG11 ' A' ' 76' ' ' VAL . 33.7 mt -102.17 11.75 37.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.44 56.5 2.51 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.45 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.7 m -115.91 -169.62 1.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.943 0.402 . . . . 0.0 110.854 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.17 -50.2 0.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 m -87.53 72.14 9.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.738 ' HB3' ' HD3' ' A' ' 29' ' ' ARG . . . -114.65 -52.66 2.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.426 ' HA ' ' HB2' ' A' ' 40' ' ' GLN . 20.3 t0 -70.98 -26.02 62.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -56.55 -29.9 62.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.441 ' O ' HG22 ' A' ' 39' ' ' VAL . 4.8 p -112.87 -14.15 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.069 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.426 ' HB2' ' HA ' ' A' ' 37' ' ' ASP . 1.9 tm0? -61.73 -15.43 40.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.2 ptp85 -120.65 11.3 11.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.406 ' CG ' ' HA ' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -147.9 21.14 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.606 ' SD ' HG21 ' A' ' 25' ' ' THR . 2.1 ptt? -75.2 -22.86 57.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.41 16.47 11.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -138.55 22.51 2.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -116.59 -25.94 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -173.88 -49.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.528 HG21 HD21 ' A' ' 21' ' ' LEU . 2.4 m -54.89 103.32 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.102 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -55.44 -35.91 65.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 151.21 44.48 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.465 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -111.93 -10.53 13.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.807 0.337 . . . . 0.0 110.848 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 75.33 0.53 62.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.471 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.418 ' N ' HD21 ' A' ' 21' ' ' LEU . 70.1 m-85 -135.14 173.71 11.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 110.877 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.627 HD12 ' HB2' ' A' ' 59' ' ' PHE . 6.4 pt -151.38 133.51 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.164 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -67.5 -67.97 0.42 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -162.88 -52.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -51.78 -49.08 63.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.54 -28.98 70.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.627 ' HB2' HD12 ' A' ' 54' ' ' ILE . 33.4 t80 -76.21 -31.07 58.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.892 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 35.3 mm -85.23 -25.12 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 60.4 m -55.74 -53.46 56.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.814 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -79.36 -18.04 53.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 9.7 t -93.94 91.3 6.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -105.84 -12.05 16.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.525 ' HB1' ' HB2' ' A' ' 71' ' ' LYS . . . 42.34 50.88 4.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.074 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.576 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -87.7 -67.09 0.16 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.642 0.735 . . . . 0.0 110.936 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.591 ' HG2' HD23 ' A' ' 69' ' ' LEU . 54.2 Cg_endo -69.83 -36.67 10.2 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.686 2.258 . . . . 0.0 112.338 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 132.19 34.0 0.39 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.504 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.591 HD23 ' HG2' ' A' ' 67' ' ' PRO . 0.5 OUTLIER -85.87 -33.08 21.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.806 0.336 . . . . 0.0 110.908 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.429 ' HG2' ' HG ' ' A' ' 69' ' ' LEU . 48.1 mmm -115.84 -21.32 9.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.525 ' HB2' ' HB1' ' A' ' 65' ' ' ALA . 49.0 tttt -72.82 -21.89 60.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -129.48 44.85 2.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.822 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -132.81 -29.33 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.453 ' HB2' ' O ' ' A' ' 3' ' ' ASP . . . -82.02 -4.08 55.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.104 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.72 -13.33 9.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.437 HG11 ' O ' ' A' ' 31' ' ' LEU . 55.5 t -50.58 -71.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 48.2 p90 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.982 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.781 0.324 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -113.4 174.28 5.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -120.81 -35.29 3.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -125.16 -30.66 3.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.5 mp0 -57.46 -24.6 56.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -78.94 -18.72 53.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.543 HG22 ' CE2' ' A' ' 11' ' ' PHE . 0.9 OUTLIER -101.29 -39.86 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.107 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -54.04 -59.81 4.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -56.04 -28.66 58.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -67.14 -47.17 71.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.543 ' CE2' HG22 ' A' ' 7' ' ' ILE . 46.5 m-85 -78.94 -22.37 45.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -94.85 23.84 5.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.816 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -55.74 -37.05 67.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.12 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 -53.45 -55.55 24.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 111.18 10.78 19.73 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.526 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -67.87 -27.95 67.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.876 0.37 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 113.39 -13.04 23.45 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.475 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.3 mttm -135.97 171.35 14.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.765 0.317 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.499 HD12 HD12 ' A' ' 24' ' ' LEU . 30.7 pt -127.9 134.49 65.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.162 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.61 97.97 0.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.815 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.558 ' O ' HG22 ' A' ' 25' ' ' THR . 0.0 OUTLIER -48.14 -44.54 32.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.5 t -48.45 -30.97 5.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -88.36 -31.13 19.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.544 ' CD2' HD11 ' A' ' 28' ' ' LEU . 10.4 tt -72.01 -53.77 11.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.922 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.647 ' HA ' HD12 ' A' ' 28' ' ' LEU . 5.4 t -53.24 -28.03 25.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.138 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -94.66 -20.41 19.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.855 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.96 22.89 6.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.647 HD12 ' HA ' ' A' ' 25' ' ' THR . 2.1 mt -102.89 -55.21 2.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -54.64 -37.17 65.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.1 t -65.31 -15.2 62.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.546 HD22 ' C ' ' A' ' 77' ' ' PHE . 36.2 mt -100.46 13.34 34.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.916 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.67 -33.51 5.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.472 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.8 m -48.82 164.35 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.001 0.429 . . . . 0.0 110.876 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.42 -50.48 1.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.174 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 89.3 p -86.92 63.99 8.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.829 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.451 ' HB1' ' O ' ' A' ' 25' ' ' THR . . . -78.72 -33.56 46.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.067 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -61.62 -16.71 50.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -51.91 -29.81 21.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.7 p -118.85 -21.56 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.4 tm0? -54.35 -23.56 15.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -120.59 5.04 10.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.481 ' O ' HG23 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -134.04 24.2 3.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.421 ' HB2' HD13 ' A' ' 21' ' ' LEU . 9.8 ptt? -78.81 -20.55 49.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.58 2.29 44.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -121.2 15.27 11.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.481 HG23 ' O ' ' A' ' 42' ' ' MET . 1.2 pt -110.83 -33.0 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -179.65 -45.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.444 HG21 HD11 ' A' ' 21' ' ' LEU . 13.0 m -51.51 115.85 1.81 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.155 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -117.58 -17.95 9.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.861 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -66.72 -117.17 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -112.17 -20.14 12.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.883 0.373 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 145.24 55.27 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.45 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.51 ' N ' HD21 ' A' ' 21' ' ' LEU . 87.6 m-85 -146.13 169.52 18.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.787 0.327 . . . . 0.0 110.902 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.502 HD12 ' HA ' ' A' ' 59' ' ' PHE . 6.7 pt -154.54 127.17 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.124 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -69.28 -67.2 0.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -161.07 -53.65 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -51.9 -45.16 64.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.46 ' HB2' HG22 ' A' ' 54' ' ' ILE . 1.9 mt-10 -72.27 -29.42 63.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.502 ' HA ' HD12 ' A' ' 54' ' ' ILE . 25.0 t80 -71.85 -29.7 64.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.876 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.425 ' HA ' ' HB2' ' A' ' 63' ' ' CYS . 30.1 mm -85.14 -21.91 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.152 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.4 p -58.94 -45.87 89.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -88.53 -20.92 24.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.425 ' HB2' ' HA ' ' A' ' 60' ' ' ILE . 17.8 m -86.91 49.58 1.84 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -61.32 -39.43 90.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.756 ' HB2' ' HB2' ' A' ' 70' ' ' MET . . . 58.59 46.23 14.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.109 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.551 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -79.46 -65.75 0.29 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.618 0.723 . . . . 0.0 110.874 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.586 ' HG2' HD23 ' A' ' 69' ' ' LEU . 53.7 Cg_endo -69.79 -37.41 9.14 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.672 2.248 . . . . 0.0 112.308 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 136.01 38.74 0.17 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.616 HD12 ' SD ' ' A' ' 70' ' ' MET . 0.4 OUTLIER -87.84 -30.92 19.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.821 0.343 . . . . 0.0 110.918 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.756 ' HB2' ' HB2' ' A' ' 65' ' ' ALA . 17.7 mmm -113.37 -21.7 10.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.0 tttt -82.9 -32.28 27.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -97.98 22.97 8.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -126.53 -31.27 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.181 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.05 -30.31 61.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.7 mmmt -90.33 -15.49 31.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.462 HG12 ' H ' ' A' ' 77' ' ' PHE . 2.8 t -88.37 165.5 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.144 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.546 ' C ' HD22 ' A' ' 31' ' ' LEU . 76.5 m-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.778 0.323 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -52.66 160.51 0.88 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.827 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 94.9 m-20 -135.69 -42.91 0.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.51 -29.03 4.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -69.45 -22.89 63.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 21.4 tpp180 -78.2 -25.05 46.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.566 HG22 ' CE2' ' A' ' 11' ' ' PHE . 0.7 OUTLIER -97.91 -40.1 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.097 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -54.68 -59.25 4.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -55.82 -29.45 59.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.05 -45.57 77.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.566 ' CE2' HG22 ' A' ' 7' ' ' ILE . 47.2 m-85 -79.17 -22.85 44.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -81.65 57.07 3.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.4 p -115.39 14.91 16.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 56.2 m-20 -77.69 -39.04 46.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 114.3 11.61 11.8 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -115.59 -33.93 5.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.84 0.352 . . . . 0.0 110.838 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 120.59 -22.35 8.27 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.464 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -92.01 -174.51 3.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.807 0.337 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.616 HD12 HD12 ' A' ' 24' ' ' LEU . 25.1 pt -145.64 133.03 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.61 101.37 1.01 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.835 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.554 HD13 ' HG2' ' A' ' 43' ' ' MET . 0.0 OUTLIER -49.15 -46.36 45.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.932 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.2 t -49.13 -30.3 6.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -88.51 -31.68 18.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.616 HD12 HD12 ' A' ' 19' ' ' ILE . 10.4 tt -71.83 -55.04 8.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.637 ' HA ' HD12 ' A' ' 28' ' ' LEU . 10.0 t -52.92 -25.82 13.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.139 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -96.99 -21.48 17.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.855 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 11' ' ' PHE . . . -94.07 19.05 9.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.637 HD12 ' HA ' ' A' ' 25' ' ' THR . 1.9 mt -98.47 -55.19 2.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.21 -34.85 24.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.415 HG23 ' N ' ' A' ' 31' ' ' LEU . 8.0 t -61.95 -41.54 98.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.415 ' N ' HG23 ' A' ' 30' ' ' THR . 17.2 mt -67.2 -27.51 67.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 118.84 51.29 0.3 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.476 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.573 ' HB3' HG21 ' A' ' 73' ' ' VAL . 1.0 OUTLIER -120.87 -178.09 3.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.986 0.422 . . . . 0.0 110.851 -179.75 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -125.29 3.36 7.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.137 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 99.5 p -116.45 70.6 0.77 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.96 -15.55 8.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.458 ' HA ' ' HB2' ' A' ' 40' ' ' GLN . 0.7 OUTLIER -115.06 -32.87 5.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -57.84 -50.53 73.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.2 p -83.28 -19.67 9.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.084 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.458 ' HB2' ' HA ' ' A' ' 37' ' ' ASP . 0.0 OUTLIER -53.12 -24.47 10.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.88 14.54 12.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.819 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 12.6 mtt -143.03 21.09 1.94 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.554 ' HG2' HD13 ' A' ' 21' ' ' LEU . 1.4 ttt -84.44 -18.18 36.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -98.46 3.41 48.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.099 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -114.98 -6.16 12.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.1 pt -92.88 -32.77 5.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.106 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -167.06 -55.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.554 HG21 HD11 ' A' ' 21' ' ' LEU . 91.5 m -48.09 111.62 0.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -62.93 -77.22 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -161.94 42.53 0.38 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.501 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -112.27 -42.15 3.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.869 0.366 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.83 22.01 11.51 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.51 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.494 ' N ' HD21 ' A' ' 21' ' ' LEU . 92.4 m-85 -147.83 171.92 14.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.831 0.348 . . . . 0.0 110.885 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.563 HD12 ' HB2' ' A' ' 59' ' ' PHE . 6.1 pt -153.75 132.57 3.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.11 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -67.72 -68.63 0.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -163.38 -53.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -51.03 -44.93 61.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -72.5 -25.43 61.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.563 ' HB2' HD12 ' A' ' 54' ' ' ILE . 8.9 t80 -75.96 -36.09 59.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 23.6 mm -76.94 -28.22 16.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.88 -53.38 41.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -85.01 -24.3 28.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 11.2 t -87.52 47.04 1.44 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -61.03 -40.41 93.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.77 ' HB2' ' HB2' ' A' ' 70' ' ' MET . . . 57.0 38.41 29.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.103 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.542 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -77.82 -64.78 0.39 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.615 0.722 . . . . 0.0 110.902 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.542 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.2 Cg_endo -69.77 -8.35 23.38 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.67 2.247 . . . . 0.0 112.307 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.28 51.14 1.36 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.449 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.659 HD12 ' HE3' ' A' ' 70' ' ' MET . 0.5 OUTLIER -103.7 -30.58 10.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.82 0.343 . . . . 0.0 110.884 -179.906 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.77 ' HB2' ' HB2' ' A' ' 65' ' ' ALA . 8.3 mmt -116.75 -21.25 9.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.4 tttm -77.07 -28.96 54.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.416 ' HA ' ' HD3' ' A' ' 75' ' ' LYS . 9.2 p-10 -102.9 32.83 3.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.573 HG21 ' HB3' ' A' ' 33' ' ' SER . 0.3 OUTLIER -133.44 -33.35 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 3' ' ' ASP . . . -58.68 -31.18 67.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.095 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.416 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 0.0 OUTLIER -89.63 -15.1 33.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.553 HG12 ' H ' ' A' ' 77' ' ' PHE . 1.6 t -89.98 170.58 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.553 ' H ' HG12 ' A' ' 76' ' ' VAL . 58.7 m-85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.801 0.334 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -104.78 158.37 16.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.434 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 78.3 m-20 -119.41 -46.81 2.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -118.02 -24.86 6.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -68.88 -32.3 71.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -69.33 -22.17 63.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.435 HG22 ' CE2' ' A' ' 11' ' ' PHE . 1.7 mt -95.35 -49.15 12.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -52.29 -38.97 59.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -72.12 -28.57 63.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.24 -43.2 64.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.435 ' CE2' HG22 ' A' ' 7' ' ' ILE . 44.1 m-85 -79.1 -23.63 43.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.874 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -81.63 57.23 3.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -87.64 -35.16 18.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.168 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -50.86 -37.13 41.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 92.58 -21.48 38.37 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -51.82 -30.25 22.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.842 0.353 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 124.76 -36.88 2.74 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.447 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.9 mttm -91.9 -171.68 2.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.762 0.315 . . . . 0.0 110.924 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.507 HD12 HD12 ' A' ' 24' ' ' LEU . 37.2 pt -146.79 147.04 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.126 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.431 ' CB ' ' HB2' ' A' ' 23' ' ' GLU . 67.8 m -58.5 112.46 1.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.689 HD11 ' HB2' ' A' ' 43' ' ' MET . 0.1 OUTLIER -71.72 -65.85 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.932 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.4 m -48.94 -19.8 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.431 ' HB2' ' CB ' ' A' ' 20' ' ' SER . 41.4 mm-40 -91.19 -28.8 17.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.513 ' CD2' HD11 ' A' ' 28' ' ' LEU . 10.5 tt -70.17 -54.83 11.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.683 ' OG1' HG13 ' A' ' 39' ' ' VAL . 13.9 t -53.33 -25.24 14.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -97.35 -21.14 17.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.07 17.76 10.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.604 HD12 ' HA ' ' A' ' 25' ' ' THR . 2.3 mt -99.45 -50.48 4.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.655 ' HD3' ' HB3' ' A' ' 36' ' ' ALA . 2.9 tpt180 -56.69 -22.79 37.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.4 t -79.29 -15.34 58.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 27.8 mt -102.73 12.18 36.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.65 ' HA3' HG11 ' A' ' 76' ' ' VAL . . . 75.37 57.87 4.12 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.511 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -121.48 -178.43 3.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.99 0.424 . . . . 0.0 110.832 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.68 12.1 3.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.138 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.481 ' O ' HG12 ' A' ' 39' ' ' VAL . 14.5 t -119.28 35.59 4.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.655 ' HB3' ' HD3' ' A' ' 29' ' ' ARG . . . -88.88 -54.8 3.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.138 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.59 -3.75 39.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -85.85 -52.65 5.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.683 HG13 ' OG1' ' A' ' 25' ' ' THR . 4.8 p -77.43 -20.21 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.123 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.44 -25.31 9.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.0 ptp85 -123.45 -2.89 8.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.517 ' O ' HG23 ' A' ' 46' ' ' ILE . 11.5 mtt -114.55 11.57 17.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.689 ' HB2' HD11 ' A' ' 21' ' ' LEU . 9.9 ptt? -75.56 -24.73 56.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -97.36 14.59 25.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -136.93 17.45 3.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.517 HG23 ' O ' ' A' ' 42' ' ' MET . 1.1 pt -114.79 -32.89 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 179.57 -45.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.549 HG21 HD12 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -52.11 115.43 1.71 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.142 -179.882 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -57.42 -75.28 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -173.91 44.43 0.15 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -112.74 -37.9 4.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.836 0.351 . . . . 0.0 110.837 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.65 23.37 8.85 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.477 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.411 ' O ' HG23 ' A' ' 48' ' ' THR . 92.5 m-85 -147.35 173.32 12.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.823 0.344 . . . . 0.0 110.884 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.642 HD12 ' HB2' ' A' ' 59' ' ' PHE . 6.9 pt -153.09 129.1 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -68.09 -65.19 0.73 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -165.14 -53.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -52.4 -50.33 62.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.836 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -63.08 -29.4 70.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.642 ' HB2' HD12 ' A' ' 54' ' ' ILE . 10.3 t80 -72.97 -36.62 67.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 27.9 mm -77.42 -23.34 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.113 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.1 t -60.56 -46.42 90.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -78.47 -16.38 57.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 61.0 m -84.83 53.15 2.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -60.57 -39.18 87.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.633 ' HB2' ' HB2' ' A' ' 70' ' ' MET . . . 60.26 38.46 19.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.55 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -84.09 -65.4 0.22 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.584 0.707 . . . . 0.0 110.892 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.634 ' HG2' HD23 ' A' ' 69' ' ' LEU . 54.2 Cg_endo -69.71 -37.13 9.72 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.706 2.271 . . . . 0.0 112.375 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 134.08 34.76 0.28 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.508 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.634 HD23 ' HG2' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -87.21 -23.31 24.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.828 0.346 . . . . 0.0 110.953 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.633 ' HB2' ' HB2' ' A' ' 65' ' ' ALA . 28.8 mmm -116.58 -21.87 8.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.6 tttm -83.39 -17.99 40.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.935 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -130.01 46.56 2.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -137.21 -30.42 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.116 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.434 ' HB2' ' O ' ' A' ' 3' ' ' ASP . . . -84.23 -4.55 58.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.092 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.54 -13.0 9.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.65 HG11 ' HA3' ' A' ' 32' ' ' GLY . 79.7 t -51.28 -73.58 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 7.9 t80 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.976 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.799 0.333 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -74.23 169.75 16.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.861 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.469 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 24.2 m-20 -117.39 -35.15 4.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -128.38 -32.24 2.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 22.8 mp0 -58.96 -29.94 67.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.9 ttp85 -70.78 -19.35 62.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.91 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.564 HG22 ' CE2' ' A' ' 11' ' ' PHE . 0.9 OUTLIER -101.94 -41.02 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -54.93 -61.82 2.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -53.08 -29.52 30.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -50.92 60.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.58 ' C ' HG22 ' A' ' 19' ' ' ILE . 37.6 m-85 -80.9 0.26 36.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -91.69 49.55 1.59 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.2 p -99.78 9.47 42.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.189 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -77.65 -74.48 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 156.11 -31.76 0.6 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.482 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -86.32 11.01 13.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.795 0.331 . . . . 0.0 110.827 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 75.42 0.77 63.19 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.563 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.4 mtpt -92.09 177.22 6.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.797 0.332 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.58 HG22 ' C ' ' A' ' 11' ' ' PHE . 38.8 pt -145.69 134.5 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.445 ' HG ' ' HE2' ' A' ' 53' ' ' PHE . 0.8 OUTLIER -67.95 97.05 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.933 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.495 HD11 HG21 ' A' ' 48' ' ' THR . 0.0 OUTLIER -48.62 -44.78 37.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 83.6 p -48.37 -30.23 4.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -87.53 -32.38 19.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.526 ' CD2' HD11 ' A' ' 28' ' ' LEU . 10.4 tt -72.86 -55.73 6.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.626 ' HA ' HD12 ' A' ' 28' ' ' LEU . 10.2 t -53.08 -25.61 13.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -96.12 -21.42 17.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.825 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.7 21.24 7.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.626 HD12 ' HA ' ' A' ' 25' ' ' THR . 2.1 mt -102.11 -53.14 2.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.7 ttt180 -56.79 -22.8 38.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.6 t -79.57 -15.24 58.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.457 HD22 ' CD1' ' A' ' 77' ' ' PHE . 16.5 mt -100.48 10.08 41.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.961 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.01 51.8 2.19 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.455 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 m -123.57 161.05 25.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.947 0.403 . . . . 0.0 110.818 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.56 3.77 5.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.132 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 63.5 p -127.83 50.72 2.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.62 ' HB1' ' O ' ' A' ' 25' ' ' THR . . . -103.08 -37.0 7.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.101 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.427 ' HA ' ' HB2' ' A' ' 40' ' ' GLN . 9.5 t0 -69.9 -23.14 63.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.837 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -56.19 -54.59 43.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.47 ' O ' HG22 ' A' ' 39' ' ' VAL . 6.1 p -84.56 -12.21 11.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.115 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.427 ' HB2' ' HA ' ' A' ' 37' ' ' ASP . 0.4 OUTLIER -63.38 -12.54 31.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.944 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.57 5.4 7.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.422 ' HG2' ' HA ' ' A' ' 39' ' ' VAL . 3.3 ptm -132.19 3.14 3.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 16.2 ptt? -61.82 -16.87 53.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.831 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -102.15 21.12 15.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.072 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -150.39 31.7 0.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -121.35 -77.74 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -139.17 -25.71 0.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.495 HG21 HD11 ' A' ' 21' ' ' LEU . 45.5 m -43.43 121.75 2.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.168 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -123.79 -9.98 7.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -87.89 27.78 6.42 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 53.64 37.65 26.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.347 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 122.51 23.32 2.36 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.479 ' N ' HD21 ' A' ' 21' ' ' LEU . 90.3 m-85 -147.83 170.57 17.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.794 0.33 . . . . 0.0 110.875 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.581 HD12 ' HA ' ' A' ' 59' ' ' PHE . 4.0 pt -155.37 119.76 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.131 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -57.19 -70.96 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -162.69 -52.52 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -56.03 -26.25 48.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.419 ' CB ' HG22 ' A' ' 54' ' ' ILE . 71.6 mt-10 -88.4 -30.09 19.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.581 ' HA ' HD12 ' A' ' 54' ' ' ILE . 17.9 t80 -73.74 -25.54 60.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 31.8 mm -88.27 -30.35 5.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.16 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.67 -55.68 18.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -78.43 -19.15 53.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 35.4 t -95.33 82.75 3.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 48.4 m-20 -100.33 -12.9 19.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.605 ' HB2' ' HB2' ' A' ' 70' ' ' MET . . . 45.02 45.0 8.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.116 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.554 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -80.98 -66.29 0.24 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.595 0.712 . . . . 0.0 110.889 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.56 ' HG2' HD23 ' A' ' 69' ' ' LEU . 53.9 Cg_endo -69.77 -10.1 27.72 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.702 2.268 . . . . 0.0 112.327 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.05 37.97 3.96 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.513 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.56 HD23 ' HG2' ' A' ' 67' ' ' PRO . 0.6 OUTLIER -95.47 -28.28 14.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.832 0.349 . . . . 0.0 110.915 -179.9 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.605 ' HB2' ' HB2' ' A' ' 65' ' ' ALA . 11.2 mmt -113.14 -21.19 11.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.584 ' HB2' ' HB1' ' A' ' 65' ' ' ALA . 42.4 tttm -82.83 -31.25 28.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -103.5 30.42 5.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -125.05 -28.48 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.186 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.469 ' HB2' ' O ' ' A' ' 3' ' ' ASP . . . -84.39 -2.87 57.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.6 mmtm -112.12 -22.81 10.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 88.5 t -63.83 -41.26 91.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.457 ' CD1' HD22 ' A' ' 31' ' ' LEU . 13.7 t80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.78 0.324 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -107.95 71.68 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.485 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 22.9 m-20 -55.63 -43.69 76.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -117.52 -31.04 5.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -59.1 -19.76 47.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 19.4 ttt85 -86.92 -6.73 58.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.5 HG22 ' CE2' ' A' ' 11' ' ' PHE . 0.8 OUTLIER -115.99 -39.35 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -51.93 -56.55 13.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.672 ' O ' HG23 ' A' ' 13' ' ' THR . 6.1 mtpm? -64.73 -19.54 65.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.901 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.53 -32.0 63.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.841 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.5 ' CE2' HG22 ' A' ' 7' ' ' ILE . 54.9 m-85 -100.75 -24.03 14.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -92.02 14.25 16.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.672 HG23 ' O ' ' A' ' 9' ' ' LYS . 0.8 OUTLIER -56.11 -35.61 67.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 -179.866 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 -51.07 -31.24 18.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 94.58 -14.45 65.3 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.511 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -52.12 -29.61 22.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.363 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.97 -56.48 0.52 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.456 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.3 mttp -92.15 169.61 10.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.767 0.317 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.467 HD11 ' CD1' ' A' ' 59' ' ' PHE . 30.0 pt -127.27 133.76 67.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.137 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.16 98.26 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.6 HD13 ' CG ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -47.93 -43.32 28.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.6 p -47.43 -29.87 2.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -90.09 -32.2 16.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.506 ' CD2' HD11 ' A' ' 28' ' ' LEU . 10.4 tt -72.11 -55.38 7.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.628 ' HA ' HD12 ' A' ' 28' ' ' LEU . 9.2 t -53.28 -25.42 14.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -97.3 -20.71 17.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.12 17.7 12.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.628 HD12 ' HA ' ' A' ' 25' ' ' THR . 1.9 mt -98.17 -57.21 2.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.03 -34.67 63.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.4 t -64.32 -15.22 59.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.401 ' O ' HG11 ' A' ' 76' ' ' VAL . 28.0 mt -102.99 3.2 35.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.62 15.09 30.35 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 74.1 m -64.87 -174.18 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.939 0.4 . . . . 0.0 110.846 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.23 -51.27 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.8 m -89.58 51.97 2.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.97 -37.23 12.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.061 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -83.71 -1.7 54.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -85.46 -52.43 5.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.438 HG22 ' HB2' ' A' ' 43' ' ' MET . 2.9 p -82.46 -15.19 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -49.74 -27.87 5.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -117.77 -8.71 10.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.1 mtt -110.84 18.7 19.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.6 ' CG ' HD13 ' A' ' 21' ' ' LEU . 24.4 tpp -82.34 -24.52 34.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.836 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.42 1.86 57.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.112 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -116.44 15.5 15.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.48 HD13 ' HB2' ' A' ' 62' ' ' PHE . 1.1 pt -115.61 -27.95 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 179.15 -50.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.586 HG21 HD11 ' A' ' 21' ' ' LEU . 26.6 m -49.66 113.13 0.77 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.166 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -119.61 -16.14 8.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -70.53 -139.69 0.17 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.474 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -85.54 -5.7 59.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.905 0.383 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 123.72 55.56 0.19 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.51 ' N ' HD21 ' A' ' 21' ' ' LEU . 72.4 m-85 -143.5 169.78 17.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.365 . . . . 0.0 110.842 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.573 HD12 ' HB2' ' A' ' 59' ' ' PHE . 5.5 pt -155.34 127.57 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.134 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -69.53 -66.2 0.62 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -161.86 -52.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -54.74 -45.31 74.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.469 ' HB2' HG22 ' A' ' 54' ' ' ILE . 66.7 mt-10 -72.55 -24.35 61.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.573 ' HB2' HD12 ' A' ' 54' ' ' ILE . 7.5 t80 -79.23 -24.11 43.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 39.7 mm -91.91 -25.21 5.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.9 m -61.62 -28.3 69.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.48 ' HB2' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -90.94 -23.54 20.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 7.3 m -79.32 57.77 2.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 35.5 m-20 -51.92 -38.39 56.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.456 ' HB2' ' SD ' ' A' ' 70' ' ' MET . . . 64.67 30.09 12.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.566 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -94.85 -66.46 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.615 0.721 . . . . 0.0 110.907 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.566 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 54.0 Cg_endo -69.68 -6.57 18.89 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.659 2.24 . . . . 0.0 112.384 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 86.99 25.07 35.46 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.493 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.524 HD12 ' N ' ' A' ' 70' ' ' MET . 4.3 pp -67.39 -37.0 82.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.784 0.326 . . . . 0.0 110.939 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.524 ' N ' HD12 ' A' ' 69' ' ' LEU . 3.3 ppp? -114.54 -21.11 10.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.6 tttp -69.87 -24.79 63.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.912 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.03 35.69 4.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -127.09 -29.49 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.187 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' A' ' 3' ' ' ASP . . . -84.99 2.38 43.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.072 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.05 -10.79 8.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.401 HG11 ' O ' ' A' ' 31' ' ' LEU . 54.6 t -66.52 -68.48 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.163 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 6.6 t80 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.819 -179.959 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.782 0.325 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.56 173.53 7.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.504 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 4.5 m-20 -141.71 -44.75 0.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -120.45 -29.98 4.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -57.86 -35.96 71.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 -69.12 -22.17 63.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.425 HG22 ' CE2' ' A' ' 11' ' ' PHE . 1.8 mt -92.18 -48.92 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.109 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -51.81 -57.2 10.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -56.07 -26.77 50.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -45.92 55.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.873 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.425 ' CE2' HG22 ' A' ' 7' ' ' ILE . 40.4 m-85 -78.8 -21.38 47.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -80.23 57.24 2.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.9 p -98.47 32.42 2.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.104 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -109.11 -74.87 0.64 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -170.75 52.23 0.19 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.489 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.7 t0 51.79 36.7 18.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.84 0.353 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -112.84 -83.44 1.25 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.5 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.4 mttp -136.26 176.78 8.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.78 0.324 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.626 HD12 HD12 ' A' ' 24' ' ' LEU . 19.7 pt -126.93 147.09 31.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.181 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.9 p -57.51 112.61 1.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.93 HD12 HG21 ' A' ' 48' ' ' THR . 0.2 OUTLIER -69.68 -68.13 0.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.8 p -48.61 -20.87 0.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -90.76 -30.26 17.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.626 HD12 HD12 ' A' ' 19' ' ' ILE . 10.5 tt -70.2 -54.59 12.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.608 ' HA ' HD12 ' A' ' 28' ' ' LEU . 10.1 t -53.16 -25.72 14.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -97.45 -20.53 17.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.63 18.48 9.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.126 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.608 HD12 ' HA ' ' A' ' 25' ' ' THR . 2.3 mt -99.87 -58.54 1.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.961 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.0 ttt85 -51.51 -33.5 32.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.408 HG23 ' N ' ' A' ' 31' ' ' LEU . 6.2 t -61.26 -42.13 98.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.408 ' N ' HG23 ' A' ' 30' ' ' THR . 11.3 mt -72.79 -0.75 14.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 102.77 12.8 31.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.451 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.471 ' OG ' HG21 ' A' ' 73' ' ' VAL . 69.1 m -60.3 -172.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.941 0.401 . . . . 0.0 110.878 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.09 -50.64 0.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.108 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.4 p -87.6 54.22 3.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.2 -52.33 8.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.078 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.411 ' HA ' ' HB2' ' A' ' 40' ' ' GLN . 6.0 t70 -73.64 -26.0 60.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -55.47 -30.74 61.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.0 p -110.64 -20.26 6.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.179 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.411 ' HB2' ' HA ' ' A' ' 37' ' ' ASP . 1.0 OUTLIER -53.13 -24.5 10.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.915 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.78 15.8 11.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.6 mtt -141.81 17.43 2.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.447 ' HG2' HD11 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -81.98 -24.22 35.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.91 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -90.63 8.76 32.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -124.39 5.47 8.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.642 HD13 ' HB2' ' A' ' 62' ' ' PHE . 1.0 OUTLIER -113.19 -19.69 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -177.47 -57.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.93 HG21 HD12 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -50.02 121.98 6.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 -179.879 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -77.38 -22.95 50.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.849 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 141.99 -10.05 2.55 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -58.38 -17.96 24.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.828 0.347 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.13 27.27 60.35 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.51 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.466 ' O ' HG23 ' A' ' 48' ' ' THR . 88.8 m-85 -150.15 172.96 14.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.894 0.378 . . . . 0.0 110.863 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.507 HD12 ' HB2' ' A' ' 59' ' ' PHE . 4.9 pt -153.95 121.56 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.159 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -64.3 -62.12 1.81 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -168.21 -52.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -58.82 -24.77 62.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.446 ' CB ' HG22 ' A' ' 54' ' ' ILE . 40.4 mt-10 -88.02 -16.2 34.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.507 ' HB2' HD12 ' A' ' 54' ' ' ILE . 19.9 t80 -90.01 -26.96 20.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 33.7 mm -87.01 -22.17 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.108 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 80.2 p -60.44 -46.0 91.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.642 ' HB2' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -86.61 -22.18 26.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 10.6 m -84.1 51.99 2.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -60.92 -38.67 86.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.648 ' HB2' ' HB2' ' A' ' 70' ' ' MET . . . 62.46 40.81 10.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.548 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -79.5 -65.29 0.3 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.614 0.721 . . . . 0.0 110.876 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.548 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.9 Cg_endo -69.73 -9.52 26.31 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.671 2.247 . . . . 0.0 112.358 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.24 36.65 5.11 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.466 ' HG ' ' HG2' ' A' ' 70' ' ' MET . 0.6 OUTLIER -88.86 -28.29 20.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.832 0.349 . . . . 0.0 110.937 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.648 ' HB2' ' HB2' ' A' ' 65' ' ' ALA . 27.9 mmm -99.04 -22.52 15.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -85.63 -32.24 22.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -96.26 28.34 3.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.899 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.471 HG21 ' OG ' ' A' ' 33' ' ' SER . 0.3 OUTLIER -130.88 -28.82 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.088 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 3' ' ' ASP . . . -85.42 0.69 51.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.06 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.7 -10.35 8.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 51.3 t -58.68 -71.63 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 86.9 t80 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.979 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.825 0.345 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -149.09 148.53 29.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.49 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 89.7 m-20 -111.77 -33.67 6.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -126.36 -31.35 2.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -56.8 -49.71 74.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 41.7 ttm-85 -53.48 -26.61 21.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.804 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.4 mt -88.34 -52.69 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -50.62 -58.44 5.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.4 mtpt -56.14 -25.24 45.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.26 -47.7 33.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -76.83 -21.67 54.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -83.16 55.84 3.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.3 p -122.24 47.99 1.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -110.5 -47.37 3.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 122.07 11.43 5.78 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -114.61 -74.44 0.62 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.882 0.372 . . . . 0.0 110.895 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 176.05 -59.9 0.11 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.492 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -71.18 178.94 3.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.726 0.298 . . . . 0.0 110.939 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.678 HD12 HD12 ' A' ' 24' ' ' LEU . 18.2 pt -127.05 146.83 32.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.129 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.472 ' CB ' ' HB2' ' A' ' 23' ' ' GLU . 58.8 m -58.23 113.56 1.99 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.572 HD12 HG21 ' A' ' 48' ' ' THR . 0.2 OUTLIER -68.24 -66.88 0.51 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.912 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.4 t -46.42 -22.44 0.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.472 ' HB2' ' CB ' ' A' ' 20' ' ' SER . 0.4 OUTLIER -88.86 -33.37 17.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.921 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.678 HD12 HD12 ' A' ' 19' ' ' ILE . 10.4 tt -71.65 -55.69 7.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.942 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.616 ' HA ' HD12 ' A' ' 28' ' ' LEU . 8.3 t -52.53 -25.95 11.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -97.12 -20.99 17.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.79 18.88 9.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.093 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.616 HD12 ' HA ' ' A' ' 25' ' ' THR . 2.1 mt -99.56 -56.46 2.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.4 ptt85 -54.47 -35.8 63.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.419 HG23 ' N ' ' A' ' 31' ' ' LEU . 7.1 t -57.72 -42.36 83.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.419 ' N ' HG23 ' A' ' 30' ' ' THR . 12.4 mt -68.82 -22.52 64.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 117.74 46.61 0.47 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.484 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.6 p -109.19 170.3 8.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.942 0.401 . . . . 0.0 110.892 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.57 10.47 5.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 77.1 p -125.69 52.85 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -102.21 -57.12 2.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -71.34 -7.61 48.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -85.89 -25.78 25.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.457 HG22 ' HB2' ' A' ' 43' ' ' MET . 3.9 p -111.86 -17.21 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.104 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -50.79 -25.4 4.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.933 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.6 ptt180 -121.06 -9.85 9.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 4.4 mmt -106.37 12.47 29.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.582 ' SD ' HD11 ' A' ' 46' ' ' ILE . 5.1 tpt -80.55 -27.37 37.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.74 8.67 27.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -126.94 16.69 7.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.582 HD11 ' SD ' ' A' ' 43' ' ' MET . 1.0 OUTLIER -123.52 -33.03 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.086 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -167.63 -58.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.572 HG21 HD12 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -48.38 109.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -51.73 -36.97 49.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 146.97 -13.75 1.49 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.518 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -49.79 -35.36 22.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.88 0.371 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 101.99 26.42 7.48 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.466 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.568 ' O ' HG23 ' A' ' 48' ' ' THR . 94.3 m-85 -150.03 172.7 14.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.826 0.346 . . . . 0.0 110.883 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.636 HD12 ' HB2' ' A' ' 59' ' ' PHE . 11.3 pt -153.13 129.72 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.158 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -73.55 -62.81 1.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -165.47 -53.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -52.01 -44.44 64.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -71.84 -26.73 62.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.636 ' HB2' HD12 ' A' ' 54' ' ' ILE . 24.4 t80 -77.56 -23.68 50.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.838 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 39.8 mm -94.05 -32.77 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -50.61 -59.4 4.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.576 ' CB ' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -72.54 -19.14 61.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 28.6 t -95.72 85.01 4.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -99.87 -13.7 19.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.633 ' HB2' ' HB2' ' A' ' 70' ' ' MET . . . 43.2 37.79 1.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.083 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.555 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -79.59 -65.69 0.29 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.597 0.713 . . . . 0.0 110.855 -179.91 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.555 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 54.2 Cg_endo -69.79 -9.49 26.22 Favored 'Trans proline' 0 C--O 1.231 0.132 0 C-N-CA 122.675 2.25 . . . . 0.0 112.368 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.35 34.08 5.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.548 HD23 ' HG2' ' A' ' 67' ' ' PRO . 0.6 OUTLIER -91.32 -27.4 18.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.845 0.355 . . . . 0.0 110.965 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.633 ' HB2' ' HB2' ' A' ' 65' ' ' ALA . 10.9 mmt -115.4 -21.4 9.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.479 ' HB2' ' HB1' ' A' ' 65' ' ' ALA . 0.9 OUTLIER -76.36 -26.9 56.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -110.2 33.87 4.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -127.61 -29.3 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.49 ' HB2' ' O ' ' A' ' 3' ' ' ASP . . . -84.01 -3.19 57.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.3 mmtm -112.99 -21.74 10.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 77.4 t -57.38 -74.26 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.101 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.0 t80 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.786 0.326 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -119.42 157.79 27.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.467 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 19.0 m-20 -118.13 -35.26 3.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -125.29 -28.5 3.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -57.05 -34.47 68.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 72.6 ttt-85 -70.27 -10.75 59.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.489 HG22 ' CE2' ' A' ' 11' ' ' PHE . 0.9 OUTLIER -106.45 -34.6 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -66.92 -50.83 61.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -64.0 -23.21 67.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -75.56 -45.33 38.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.489 ' CE2' HG22 ' A' ' 7' ' ' ILE . 42.9 m-85 -79.17 -23.59 43.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -81.41 57.28 3.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.2 p -118.02 19.73 13.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.167 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -77.64 -67.53 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 157.52 -27.29 0.48 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -84.89 -67.05 0.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.842 0.353 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 165.52 -39.46 0.28 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.466 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.9 mttm -72.9 171.38 12.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.801 0.334 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.554 HD12 HD12 ' A' ' 24' ' ' LEU . 30.5 pt -127.02 146.19 33.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.093 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 64.7 m -58.26 112.68 1.63 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.576 HD11 ' HB2' ' A' ' 43' ' ' MET . 0.1 OUTLIER -68.51 -65.67 0.67 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.5 t -48.29 -20.32 0.38 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.831 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -90.08 -29.99 17.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.554 HD12 HD12 ' A' ' 19' ' ' ILE . 10.3 tt -70.5 -55.88 7.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.954 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.602 ' HA ' HD12 ' A' ' 28' ' ' LEU . 10.1 t -53.18 -25.11 12.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.148 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -96.97 -21.21 17.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.16 22.92 6.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.136 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.602 HD12 ' HA ' ' A' ' 25' ' ' THR . 2.1 mt -103.7 -52.72 2.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.9 mmm-85 -65.43 -17.23 64.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.9 t -80.15 -14.94 58.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.108 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.1 mt -102.84 10.75 38.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 90.78 46.75 3.87 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.543 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.7 m -113.97 168.11 10.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.985 0.421 . . . . 0.0 110.849 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -133.8 7.64 3.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.106 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.3 m -126.11 55.54 1.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.441 ' HB1' ' O ' ' A' ' 25' ' ' THR . . . -114.37 -37.69 4.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.077 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -74.34 -6.69 49.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -85.85 -29.63 23.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.462 ' O ' HG22 ' A' ' 39' ' ' VAL . 4.7 p -105.43 -13.24 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.07 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -61.59 -15.28 37.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -127.7 6.8 6.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.404 ' HG2' ' HA ' ' A' ' 39' ' ' VAL . 0.3 OUTLIER -127.82 -1.52 5.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.576 ' HB2' HD11 ' A' ' 21' ' ' LEU . 11.3 ptt? -60.02 -18.45 46.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -98.37 20.54 12.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.096 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -148.25 26.66 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -121.62 -32.82 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.187 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -176.21 -44.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 97.0 m -51.39 114.48 1.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -56.0 -35.14 66.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 151.26 -18.84 0.93 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.459 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -51.84 -40.55 60.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.866 0.365 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.62 23.29 7.61 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -142.83 177.52 8.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.883 0.373 . . . . 0.0 110.854 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.713 HD12 ' HB2' ' A' ' 59' ' ' PHE . 7.7 pt -153.44 130.36 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.143 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -70.5 -64.89 0.81 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -163.84 -50.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -58.82 -49.56 77.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.459 ' CB ' HG22 ' A' ' 54' ' ' ILE . 1.8 mt-10 -59.25 -29.93 67.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.713 ' HB2' HD12 ' A' ' 54' ' ' ILE . 14.2 t80 -71.95 -48.32 46.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 31.5 mm -70.57 -20.28 22.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.159 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.4 p -52.6 -46.9 67.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.849 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.422 ' CZ ' HD13 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -101.15 -18.87 15.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 73.1 m -88.62 63.8 7.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -97.03 -8.74 29.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.785 ' HB2' ' HB2' ' A' ' 70' ' ' MET . . . 56.29 50.34 13.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.544 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -82.41 -65.54 0.24 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.615 0.722 . . . . 0.0 110.854 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.544 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.9 Cg_endo -69.73 -36.44 10.87 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.65 2.233 . . . . 0.0 112.325 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 134.19 33.22 0.32 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.528 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.523 HD23 ' HG2' ' A' ' 67' ' ' PRO . 0.5 OUTLIER -85.32 -30.46 23.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.802 0.334 . . . . 0.0 110.92 -179.891 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.785 ' HB2' ' HB2' ' A' ' 65' ' ' ALA . 17.0 mmt -117.14 -21.15 8.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.412 ' HB2' ' HB1' ' A' ' 65' ' ' ALA . 82.8 tttt -74.57 -20.91 59.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -129.93 42.82 3.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -136.52 -30.26 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.129 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' A' ' 3' ' ' ASP . . . -77.24 -5.57 49.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.112 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.31 -20.92 10.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.9 t -51.29 -73.09 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 26.2 t80 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.97 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.8 0.333 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -149.49 175.31 11.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.48 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 47.4 m-20 -121.47 -35.3 3.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -124.79 -29.14 3.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -57.47 -37.61 73.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 56.9 ttt-85 -72.15 -9.5 58.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.415 HG22 ' CE2' ' A' ' 11' ' ' PHE . 1.5 mt -100.46 -59.2 3.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -50.24 -57.57 7.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.4 mmtp -53.72 -28.29 33.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -74.4 -47.97 30.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.415 ' CE2' HG22 ' A' ' 7' ' ' ILE . 36.0 m-85 -80.59 0.48 33.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -95.4 48.54 1.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.0 p -101.64 10.81 39.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.172 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 -77.68 -73.94 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 139.88 -18.53 2.96 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.44 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -86.4 10.91 13.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.9 0.381 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 72.25 22.46 78.86 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.488 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 66.4 mttt -136.34 173.55 11.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.756 0.312 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.443 HD12 HD12 ' A' ' 24' ' ' LEU . 19.5 pt -127.23 146.19 33.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.42 ' HB3' ' HB2' ' A' ' 23' ' ' GLU . 72.5 m -60.82 97.81 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.517 ' CD2' ' C ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -53.86 -68.24 0.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.924 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.2 t -47.38 -22.11 0.39 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.42 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 3.9 tp10 -84.98 -31.38 23.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.543 ' CD2' HD11 ' A' ' 28' ' ' LEU . 10.5 tt -70.85 -54.32 11.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.922 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.708 ' OG1' HG13 ' A' ' 39' ' ' VAL . 9.8 t -53.38 -25.97 17.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -96.71 -20.72 18.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.28 23.88 5.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.161 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.594 HD12 ' HA ' ' A' ' 25' ' ' THR . 2.4 mt -104.82 -50.79 3.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -55.43 -21.62 16.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.417 HG23 ' N ' ' A' ' 31' ' ' LEU . 9.5 t -78.22 -41.27 34.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.106 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.417 ' N ' HG23 ' A' ' 30' ' ' THR . 13.1 mt -68.9 -22.61 64.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.63 60.74 1.08 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.471 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.481 ' HB2' HG23 ' A' ' 73' ' ' VAL . 0.2 OUTLIER -122.6 -9.21 8.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.932 0.396 . . . . 0.0 110.814 -179.725 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 54.1 22.65 3.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.089 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.5 m -128.0 59.92 1.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.841 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -110.25 -51.89 2.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.085 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -76.13 -1.74 27.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -85.89 -26.23 25.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.708 HG13 ' OG1' ' A' ' 25' ' ' THR . 4.7 p -112.0 -21.98 5.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.125 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.31 -24.72 12.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -121.76 13.63 10.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 9.2 mtm -140.7 19.74 2.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.508 ' HB2' HD11 ' A' ' 21' ' ' LEU . 6.9 ptt? -78.02 -22.83 48.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -97.79 10.02 41.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -126.69 14.6 7.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.888 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.1 pt -113.4 -33.83 2.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -174.7 -50.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 93.7 m -50.73 124.81 11.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.149 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -70.49 -76.12 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -164.93 40.81 0.29 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -112.37 -41.29 3.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.877 0.37 . . . . 0.0 110.846 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 101.72 23.06 9.63 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.405 ' O ' HG23 ' A' ' 54' ' ' ILE . 90.3 m-85 -145.5 172.61 12.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.844 0.354 . . . . 0.0 110.868 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.687 HD12 ' HB2' ' A' ' 59' ' ' PHE . 4.3 pt -154.54 125.3 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -58.99 -69.14 0.21 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -164.53 -52.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.838 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -55.56 -46.72 77.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.843 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -62.26 -21.45 65.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.687 ' HB2' HD12 ' A' ' 54' ' ' ILE . 4.9 t80 -85.81 -35.79 20.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 33.3 mm -78.59 -31.75 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.101 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.5 m -51.36 -57.89 7.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -76.1 -23.55 54.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 36.3 t -88.9 83.14 6.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -103.71 -11.94 17.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.578 ' HB1' ' HB2' ' A' ' 71' ' ' LYS . . . 46.51 56.27 6.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.071 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.587 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -90.92 -67.35 0.12 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.651 0.738 . . . . 0.0 110.894 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.587 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.4 Cg_endo -69.81 -36.63 10.31 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.679 2.252 . . . . 0.0 112.323 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 133.02 35.16 0.31 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.476 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.582 HD23 ' HG2' ' A' ' 67' ' ' PRO . 0.6 OUTLIER -91.46 -30.95 16.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.794 0.33 . . . . 0.0 110.965 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.434 ' HB2' ' HB2' ' A' ' 65' ' ' ALA . 12.3 mmt -117.88 -21.07 8.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.578 ' HB2' ' HB1' ' A' ' 65' ' ' ALA . 11.0 tttt -77.07 -21.58 54.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -117.39 41.27 2.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.481 HG23 ' HB2' ' A' ' 33' ' ' SER . 0.8 OUTLIER -129.83 -32.18 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.11 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.48 ' HB2' ' O ' ' A' ' 3' ' ' ASP . . . -84.97 3.66 37.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -119.61 -25.0 6.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 98.3 t -61.56 -44.21 98.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.109 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 23.4 p90 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.847 -179.98 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.121 0 CA-C-O 120.814 0.34 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -102.6 120.42 40.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 87.9 m-20 -97.8 -35.11 10.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -124.11 -31.73 3.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -58.73 -33.9 70.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.506 ' HB3' ' HB1' ' A' ' 74' ' ' ALA . 7.2 tpm_? -69.08 -21.56 64.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.3 mt -92.59 -51.5 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.085 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -53.53 -56.69 14.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.12 -32.85 64.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.917 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.26 -44.47 79.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.873 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -79.36 -21.36 45.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -83.48 57.13 3.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.836 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.1 p -114.54 13.3 17.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -77.64 -49.54 14.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.82 11.24 9.4 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.498 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -112.38 -54.5 2.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.816 0.341 . . . . 0.0 110.838 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 156.17 -60.3 0.36 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.44 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -69.67 176.3 3.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.755 0.312 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.7 HD12 HD12 ' A' ' 24' ' ' LEU . 15.7 pt -127.06 147.08 32.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.067 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 t -58.47 112.48 1.6 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.854 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.563 ' CD2' ' C ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -69.71 -67.64 0.47 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 84.4 p -48.02 -21.51 0.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -92.32 -29.83 16.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.936 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.7 HD12 HD12 ' A' ' 19' ' ' ILE . 10.5 tt -70.69 -54.07 13.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.951 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.614 ' HA ' HD12 ' A' ' 28' ' ' LEU . 7.7 t -53.03 -26.52 15.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.147 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -96.96 -20.76 17.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.29 18.13 10.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.614 HD12 ' HA ' ' A' ' 25' ' ' THR . 2.1 mt -98.9 -55.65 2.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 18.0 ptt-85 -53.68 -35.36 60.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.413 HG23 ' N ' ' A' ' 31' ' ' LEU . 6.7 t -56.83 -42.58 79.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.086 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.413 ' N ' HG23 ' A' ' 30' ' ' THR . 12.2 mt -69.13 -22.65 63.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.897 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 122.53 47.74 0.27 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.518 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.6 m -109.19 169.57 8.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.958 0.409 . . . . 0.0 110.821 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.9 5.73 4.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.127 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 88.9 p -125.08 37.1 4.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.841 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.23 -37.8 28.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.112 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -86.57 -0.7 56.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -85.78 -52.26 5.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.44 HG22 ' HB2' ' A' ' 43' ' ' MET . 4.2 p -81.76 -15.76 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.156 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -24.62 9.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.13 16.42 8.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 46.6 mtp -131.63 4.35 4.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.479 ' HG2' HD11 ' A' ' 21' ' ' LEU . 10.8 tpp -77.16 -26.28 52.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.59 9.45 21.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -131.45 18.01 4.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.682 HD12 ' OD2' ' A' ' 47' ' ' ASP . 1.0 OUTLIER -128.58 -36.53 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.157 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.682 ' OD2' HD12 ' A' ' 46' ' ' ILE . 41.6 m-20 -154.76 -67.73 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.555 HG21 HD12 ' A' ' 21' ' ' LEU . 20.9 m -47.33 119.35 2.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -70.51 -27.51 64.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.798 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 150.46 -16.08 0.98 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.511 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -50.57 -41.7 54.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.842 0.353 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 103.25 23.4 8.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.497 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -149.77 173.05 14.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.856 0.36 . . . . 0.0 110.859 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.644 HD12 ' HB2' ' A' ' 59' ' ' PHE . 4.9 pt -153.19 133.28 3.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -72.14 -65.73 0.74 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -162.22 -53.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -57.36 -45.71 84.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -62.92 -16.7 60.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.644 ' HB2' HD12 ' A' ' 54' ' ' ILE . 13.9 t80 -92.16 -35.25 13.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 36.8 mm -74.64 -35.79 38.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.121 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -49.58 -61.13 2.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.805 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.652 ' CB ' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -69.1 -13.85 62.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.91 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 36.3 t -80.75 56.9 2.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 37.7 m-20 -52.94 -38.95 62.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 48.16 32.5 3.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.566 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -82.16 -66.55 0.22 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.606 0.717 . . . . 0.0 110.902 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.566 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.8 Cg_endo -69.7 -10.03 27.59 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.681 2.254 . . . . 0.0 112.382 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 97.74 38.54 4.13 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.498 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.563 HD23 ' HG2' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -89.4 -29.21 19.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.819 0.342 . . . . 0.0 110.911 -179.911 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.465 ' HG2' ' HG ' ' A' ' 69' ' ' LEU . 56.6 mmm -111.28 -22.34 11.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 35.8 tttt -80.52 -31.78 37.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.425 ' O ' HG23 ' A' ' 76' ' ' VAL . 4.3 t70 -100.93 26.85 6.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.823 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -123.55 -28.21 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.087 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.506 ' HB1' ' HB3' ' A' ' 6' ' ' ARG . . . -81.79 -10.98 59.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -104.19 -23.8 13.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 72' ' ' ASP . 54.8 t -51.8 -67.92 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 11.8 t80 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.981 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.818 0.342 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -121.79 162.42 20.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 77.9 m-20 -124.91 -35.35 2.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -125.76 -30.47 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -57.11 -32.45 66.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.0 tpp85 -72.28 -24.27 61.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.86 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.2 mt -89.23 -49.57 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -52.31 -58.46 6.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -55.87 -31.62 62.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.58 -31.35 70.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.442 ' C ' HG22 ' A' ' 19' ' ' ILE . 37.4 m-85 -99.67 0.84 42.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -110.56 38.0 2.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.7 p -73.51 -34.69 65.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -50.6 -30.72 13.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 94.72 -16.32 61.48 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.515 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -56.08 -24.88 42.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.853 0.358 . . . . 0.0 110.842 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 106.81 -39.22 2.96 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.461 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -92.2 168.49 11.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 0.0 110.829 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.576 HD12 HD12 ' A' ' 24' ' ' LEU . 27.8 pt -127.25 133.15 68.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.513 ' HG ' ' HE2' ' A' ' 53' ' ' PHE . 0.9 OUTLIER -67.96 97.86 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.813 -179.892 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.432 HD21 ' N ' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -49.07 -44.15 41.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.937 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.3 t -48.63 -30.36 5.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 -90.51 -30.11 17.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.576 HD12 HD12 ' A' ' 19' ' ' ILE . 10.4 tt -71.63 -54.84 9.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.67 ' HA ' HD12 ' A' ' 28' ' ' LEU . 12.8 t -52.99 -27.78 20.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -93.61 -22.75 18.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.62 20.67 7.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.115 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.67 HD12 ' HA ' ' A' ' 25' ' ' THR . 2.5 mt -101.2 -49.5 4.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.28 -44.72 68.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.82 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.2 t -62.98 -16.22 58.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.649 HD22 ' HA ' ' A' ' 77' ' ' PHE . 26.9 mt -109.0 25.69 11.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 59.62 74.89 0.31 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.466 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.2 m -116.56 175.2 5.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.96 0.409 . . . . 0.0 110.848 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.6 p -49.44 -67.98 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.168 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.537 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 2.9 m -147.1 -43.53 0.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.582 ' HB1' ' O ' ' A' ' 25' ' ' THR . . . 73.36 -0.71 3.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.056 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -108.45 -5.89 16.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -85.03 -56.49 3.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.412 ' O ' HG22 ' A' ' 39' ' ' VAL . 3.6 p -76.9 -16.93 14.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.184 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.9 -28.09 8.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.72 16.14 11.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 8.8 mtt -138.15 17.36 2.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.559 ' SD ' HD11 ' A' ' 46' ' ' ILE . 14.5 tpt -81.09 -22.31 39.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.59 -4.96 52.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -109.11 12.52 25.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.559 HD11 ' SD ' ' A' ' 43' ' ' MET . 1.1 pt -117.93 -18.86 6.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -179.35 -62.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.6 m -49.42 120.12 3.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.101 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -62.38 -33.53 74.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 149.6 -14.77 1.07 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.454 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -49.49 -35.3 19.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.807 0.337 . . . . 0.0 110.829 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.84 22.12 11.37 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.459 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.513 ' HE2' ' HG ' ' A' ' 20' ' ' SER . 83.3 m-85 -146.78 170.84 16.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.859 0.362 . . . . 0.0 110.887 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.627 HD12 ' HB2' ' A' ' 59' ' ' PHE . 3.3 pt -154.48 129.7 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -63.61 -73.41 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -156.69 -54.11 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -54.76 -48.51 72.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.409 ' CB ' HG22 ' A' ' 54' ' ' ILE . 1.4 mt-10 -63.11 -25.51 68.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.627 ' HB2' HD12 ' A' ' 54' ' ' ILE . 6.5 t80 -79.59 -36.19 38.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 35.4 mm -78.73 -23.42 13.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.13 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 83.9 p -51.04 -51.28 54.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.452 ' HB3' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -93.1 -23.9 18.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 48.9 t -90.45 63.35 5.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -90.0 -13.28 36.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.746 ' HB2' ' HB2' ' A' ' 70' ' ' MET . . . 45.74 52.32 9.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.098 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.574 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -79.08 -66.66 0.27 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.652 0.739 . . . . 0.0 110.903 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.574 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.3 Cg_endo -69.73 -10.27 28.16 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.725 2.284 . . . . 0.0 112.318 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.89 37.62 3.86 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.533 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.682 HD12 ' CE ' ' A' ' 70' ' ' MET . 0.6 OUTLIER -89.31 -32.46 17.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.79 0.329 . . . . 0.0 110.886 -179.905 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.746 ' HB2' ' HB2' ' A' ' 65' ' ' ALA . 8.1 mmt -109.2 -21.3 12.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.504 ' HB3' ' HB1' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -75.62 -28.41 58.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.909 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -104.69 25.22 10.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -124.04 -30.31 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.401 ' HB2' ' O ' ' A' ' 3' ' ' ASP . . . -54.91 -30.49 58.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.8 -13.65 31.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.459 HG12 ' N ' ' A' ' 77' ' ' PHE . 5.9 t -88.05 160.99 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.08 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.649 ' HA ' HD22 ' A' ' 31' ' ' LEU . 36.7 m-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.813 0.339 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -64.94 163.38 14.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 27.6 m-20 -134.22 -44.03 0.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -121.52 -28.23 4.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -69.3 -15.41 63.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.9 tpp85 -88.67 -17.24 30.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.554 HG22 ' CE2' ' A' ' 11' ' ' PHE . 0.9 OUTLIER -105.85 -39.83 5.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -53.53 -64.16 0.91 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp -55.73 -35.49 66.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -56.83 -48.75 77.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.554 ' CE2' HG22 ' A' ' 7' ' ' ILE . 39.7 m-85 -78.99 -23.25 44.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -81.02 57.5 3.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.4 p -97.65 32.8 2.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -109.14 -69.71 0.85 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -174.61 51.51 0.14 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.542 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.8 t70 51.46 38.98 23.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.83 0.348 . . . . 0.0 110.825 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -112.78 -85.97 1.5 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.464 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 mtmm -135.79 174.99 10.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.773 0.32 . . . . 0.0 110.876 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.668 HD12 HD12 ' A' ' 24' ' ' LEU . 25.9 pt -127.15 138.15 55.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.414 ' CB ' ' HB2' ' A' ' 23' ' ' GLU . 45.9 m -52.7 113.96 1.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.549 ' CD2' ' C ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -67.51 -66.45 0.56 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.0 t -47.87 -21.13 0.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.414 ' HB2' ' CB ' ' A' ' 20' ' ' SER . 29.0 mm-40 -89.71 -30.73 17.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.668 HD12 HD12 ' A' ' 19' ' ' ILE . 10.4 tt -70.0 -54.46 13.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.591 ' HA ' HD12 ' A' ' 28' ' ' LEU . 15.4 t -53.06 -25.6 13.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.113 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -97.53 -20.71 17.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.17 17.7 10.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.591 HD12 ' HA ' ' A' ' 25' ' ' THR . 2.2 mt -99.32 -55.99 2.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.952 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.492 ' CD ' ' HB3' ' A' ' 36' ' ' ALA . 1.6 mtp85 -52.72 -34.41 52.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.412 HG23 ' N ' ' A' ' 31' ' ' LEU . 6.6 t -58.45 -42.38 87.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.412 ' N ' HG23 ' A' ' 30' ' ' THR . 11.9 mt -69.08 -22.36 64.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.972 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 115.03 55.84 0.37 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.521 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.4 p -113.99 178.73 4.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.936 0.398 . . . . 0.0 110.85 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.75 9.99 2.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.174 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.1 t -131.78 45.78 2.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.492 ' HB3' ' CD ' ' A' ' 29' ' ' ARG . . . -92.54 -37.52 12.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.102 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.6 -1.45 57.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -85.87 -52.35 5.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.424 HG22 ' HB2' ' A' ' 43' ' ' MET . 3.1 p -80.7 -16.55 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.576 ' HG2' HG21 ' A' ' 25' ' ' THR . 0.0 OUTLIER -51.59 -26.74 9.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.33 15.37 10.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 7.5 mmm -130.5 3.42 4.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.424 ' HB2' HG22 ' A' ' 39' ' ' VAL . 26.7 tpp -75.83 -25.77 56.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.44 11.68 18.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.05 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -133.19 17.75 4.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.697 HD12 ' OD2' ' A' ' 47' ' ' ASP . 0.9 OUTLIER -126.79 -35.96 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.146 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.697 ' OD2' HD12 ' A' ' 46' ' ' ILE . 31.0 m-20 -155.18 -65.13 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.75 117.09 2.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -73.5 -19.69 60.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 142.71 -10.42 2.38 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.464 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -48.27 -34.87 11.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.904 0.383 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 101.28 -3.06 54.48 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.492 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -137.35 175.82 9.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.818 0.342 . . . . 0.0 110.877 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.658 HD12 ' HB2' ' A' ' 59' ' ' PHE . 6.8 pt -147.31 134.08 13.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -72.93 -64.39 0.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -166.02 -52.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -54.55 -43.11 71.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -70.03 -15.86 63.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.658 ' HB2' HD12 ' A' ' 54' ' ' ILE . 7.2 t80 -91.18 -34.97 14.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 36.8 mm -78.68 -34.34 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 t -50.49 -60.22 3.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.648 ' CB ' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -68.13 -13.57 62.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.843 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 23.9 t -81.28 56.16 2.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 55.4 m-20 -54.15 -38.76 65.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 51.11 30.81 5.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.552 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -81.88 -65.85 0.24 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.602 0.715 . . . . 0.0 110.883 -179.915 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.552 ' CD ' ' CB ' ' A' ' 66' ' ' ASN . 53.8 Cg_endo -69.74 -9.79 26.98 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.736 2.29 . . . . 0.0 112.322 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 97.52 33.72 5.8 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.448 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.551 HD23 ' HG2' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -84.54 -28.3 26.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.791 0.329 . . . . 0.0 110.861 -179.922 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.418 ' HG2' ' HG ' ' A' ' 69' ' ' LEU . 10.8 mmt -110.47 -21.96 11.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -81.55 -31.51 32.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -99.78 30.35 3.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.867 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -129.85 -28.26 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.431 ' HB2' HD11 ' A' ' 7' ' ' ILE . . . -86.75 1.37 52.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.058 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.17 -11.8 8.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 72.9 t -64.94 -74.46 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 3.2 t80 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.75 0.31 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -78.95 166.66 22.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -120.45 -35.36 3.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.98 -30.53 3.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -53.79 -49.39 68.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.2 tpp180 -52.02 -26.0 9.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.882 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.592 HG22 ' CE2' ' A' ' 11' ' ' PHE . 0.8 OUTLIER -91.72 -48.37 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -50.76 -41.06 56.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -67.37 -32.16 72.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.933 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.17 -42.88 75.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.592 ' CE2' HG22 ' A' ' 7' ' ' ILE . 40.9 m-85 -78.68 -27.46 45.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.429 ' HA ' HG22 ' A' ' 19' ' ' ILE . 36.1 t0 -89.66 53.14 2.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.3 p -113.47 18.16 17.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.16 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -75.76 -48.1 23.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 120.08 11.25 7.01 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.461 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -115.67 -60.97 1.81 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.827 0.346 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 162.46 -53.52 0.31 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.493 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.0 mttm -68.7 -172.73 0.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.743 0.306 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.429 HG22 ' HA ' ' A' ' 12' ' ' ASP . 34.1 pt -146.01 148.98 16.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.123 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.7 m -65.42 83.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.713 ' O ' HD22 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -54.06 -44.69 71.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.499 ' N ' HD13 ' A' ' 21' ' ' LEU . 62.0 p -56.49 -11.55 1.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -105.59 -13.23 15.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.507 ' CD2' HD11 ' A' ' 28' ' ' LEU . 10.5 tt -71.8 -52.16 18.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.722 ' OG1' HG13 ' A' ' 39' ' ' VAL . 11.9 t -55.15 -25.11 30.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -97.95 -20.88 17.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -92.83 15.96 13.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.077 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.6 HD12 ' HA ' ' A' ' 25' ' ' THR . 2.0 mt -96.79 -55.33 2.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.7 ttp85 -55.13 -35.32 64.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.83 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.0 t -64.14 -15.58 60.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 24.1 mt -104.75 15.74 27.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.0 52.85 3.32 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.461 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.5 m -118.42 156.47 28.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.917 0.389 . . . . 0.0 110.883 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.73 3.55 10.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.3 t -126.45 53.17 1.67 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.818 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.07 -36.78 12.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.077 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.423 ' HA ' ' HB2' ' A' ' 40' ' ' GLN . 69.0 m-20 -70.96 -30.62 66.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -55.7 -55.01 37.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.722 HG13 ' OG1' ' A' ' 25' ' ' THR . 6.2 p -75.82 -23.18 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.423 ' HB2' ' HA ' ' A' ' 37' ' ' ASP . 0.1 OUTLIER -53.89 -23.97 14.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -121.94 15.74 10.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.646 ' O ' HG23 ' A' ' 46' ' ' ILE . 13.7 mtt -144.84 19.5 1.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.703 ' HB2' HD11 ' A' ' 21' ' ' LEU . 4.5 ptt? -76.67 -26.93 55.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -97.69 5.75 48.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.085 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -119.36 -10.57 9.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.937 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.646 HG23 ' O ' ' A' ' 42' ' ' MET . 1.3 pt -79.35 -26.39 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.14 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.0 -45.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 89.6 m -50.54 118.64 3.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -51.95 -75.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -172.56 42.39 0.17 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.512 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -113.42 -38.0 4.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.804 0.335 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.03 23.03 9.45 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.499 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -145.17 173.22 12.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.818 0.342 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.692 HD12 ' HB2' ' A' ' 59' ' ' PHE . 5.7 pt -152.95 164.51 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.155 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -101.66 -66.69 0.9 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -162.55 -49.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -56.71 -54.34 47.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -62.37 -21.82 65.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.692 ' HB2' HD12 ' A' ' 54' ' ' ILE . 6.7 t80 -79.35 -36.54 39.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.412 ' HA ' ' HB2' ' A' ' 63' ' ' CYS . 46.9 mm -79.6 -19.63 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.37 -46.27 80.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -94.94 -20.16 19.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.412 ' HB2' ' HA ' ' A' ' 60' ' ' ILE . 55.9 m -88.33 50.47 1.98 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -82.7 -11.71 58.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.813 ' HB2' ' HB2' ' A' ' 70' ' ' MET . . . 50.03 62.72 2.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.565 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.8 OUTLIER -83.97 -66.52 0.21 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.61 0.719 . . . . 0.0 110.88 -179.91 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.64 ' HG2' HD23 ' A' ' 69' ' ' LEU . 53.6 Cg_endo -69.75 -36.75 10.24 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.691 2.261 . . . . 0.0 112.354 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 132.52 36.38 0.29 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.474 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.64 HD23 ' HG2' ' A' ' 67' ' ' PRO . 0.6 OUTLIER -86.96 -31.84 20.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.801 0.334 . . . . 0.0 110.918 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.813 ' HB2' ' HB2' ' A' ' 65' ' ' ALA . 48.4 mmm -108.06 -21.66 12.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -77.72 -26.35 49.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -116.3 40.54 2.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -137.58 -31.97 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.6 -20.96 23.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.079 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.16 -9.28 16.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.474 HG12 ' N ' ' A' ' 77' ' ' PHE . 12.6 t -88.7 160.52 2.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.474 ' N ' HG12 ' A' ' 76' ' ' VAL . 56.6 t80 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 stop_ save_