data_2jxj_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 2jxj _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 18.2 m . . . . . 0 N--CA 1.457 -0.108 0 CA-C-O 120.876 0.37 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 73.5 mtt180 -59.71 -46.81 87.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 15.5 mt -65.93 -45.57 81.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.9 -42.97 85.8 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.009 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -62.43 -48.8 78.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.919 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 16.9 mt -60.03 -32.95 71.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -61.08 -39.6 90.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.985 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -69.98 -45.62 66.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.968 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.412 HD11 ' CG ' ' A' ' 169' ' ' TYR . 28.7 tp -66.1 -43.06 88.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.74 -37.84 79.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.224 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.05 -44.32 48.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.121 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -60.31 -49.32 78.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.039 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 36.9 m95 -66.28 -35.0 79.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.977 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -55.83 -37.72 69.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.101 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 69.7 mt -59.25 -31.63 69.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.812 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -75.59 -44.73 41.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.817 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 113.75 22.9 5.21 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.526 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.79 -26.08 15.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.784 0.326 . . . . 0.0 111.064 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 31.6 m 64.41 109.78 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.3 132.61 50.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.032 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -128.03 132.13 49.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.3 pt -98.81 98.71 6.53 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.188 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -68.63 144.79 61.57 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.531 2.154 . . . . 0.0 112.274 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.5 t -99.62 133.33 42.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.154 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.9 t -129.11 128.81 67.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.192 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 60.11 38.67 20.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 60.11 30.18 19.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.805 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.5 mtmm -144.27 167.69 21.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 4.2 mt -81.76 141.38 15.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.7 117.81 23.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.961 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -59.12 162.85 4.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.795 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -139.68 -58.42 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -57.59 -51.28 70.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.866 0.365 . . . . 0.0 110.717 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -66.25 -42.54 88.41 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.174 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 18.9 tp -60.26 -38.05 82.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.082 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 13.4 t -66.73 -39.89 88.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.035 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -67.97 -43.94 77.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.073 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 8.4 mt -58.8 -40.65 80.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.264 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.415 HG23 ' CE2' ' A' ' 162' ' ' TYR . 22.0 t -62.27 -50.23 80.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.167 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.38 -47.09 86.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 50.7 p -57.06 -21.53 32.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.345 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.17 -27.91 24.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.879 0.371 . . . . 0.0 110.943 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 138.53 41.18 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.451 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 86.15 -67.45 3.51 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.509 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -177.82 -53.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.879 0.371 . . . . 0.0 111.004 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -56.97 -39.33 74.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.073 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.95 -32.13 71.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.414 HG13 ' CD2' ' A' ' 139' ' ' TRP . 14.0 t -67.12 -45.55 86.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.077 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 3.3 m -70.01 -39.53 75.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 24.0 mtmm -61.72 -37.84 85.67 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.015 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -95.16 -14.9 23.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.153 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? 67.2 38.91 3.22 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.847 0.356 . . . . 0.0 110.846 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -92.57 13.89 18.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.278 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.415 ' CD2' ' HG3' ' A' ' 159' ' ' LYS . 63.7 m95 -67.14 -32.44 73.56 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.831 0.348 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.5 m -60.31 -40.47 90.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.09 -31.54 72.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 22.0 t -63.15 -49.11 84.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.063 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -68.98 -39.88 84.64 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.561 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 2.7 m -60.27 -39.46 86.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 111.027 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -61.97 -31.94 72.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 89.5 mt -67.84 -52.89 31.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 140.51 44.34 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.49 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -106.42 134.84 48.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.869 0.366 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.4 mt -75.95 144.87 76.66 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.35 89.21 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.474 2.116 . . . . 0.0 112.28 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -103.88 -151.84 22.37 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.542 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 14.6 mttm -61.55 -72.06 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.799 0.333 . . . . 0.0 110.856 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -164.06 72.85 0.18 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.641 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 20.5 m -65.84 -23.69 66.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.728 0.299 . . . . 0.0 111.093 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -56.95 -37.01 76.24 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.605 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 2.1 m -66.55 -36.19 82.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 110.835 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 6.4 mp -72.95 -38.39 66.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.791 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 66.4 mt -63.37 -44.61 94.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . 0.415 ' HG3' ' CD2' ' A' ' 139' ' ' TRP . 0.0 OUTLIER -60.95 -47.99 83.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.827 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 8.9 m -67.03 -42.1 85.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -63.95 -47.82 78.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . 0.415 ' CE2' HG23 ' A' ' 124' ' ' VAL . 24.5 t80 -66.99 -46.92 73.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -88.36 69.68 9.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -171.46 -36.84 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.349 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 2.0 mp -126.48 -48.28 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.642 0.258 . . . . 0.0 111.608 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 11.2 tp -78.24 -51.87 9.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.551 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 167' ' ' TYR . . . . . 0.526 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 2.6 t80 -54.84 -55.85 33.98 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.667 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 168' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 10.8 Cg_endo -54.79 -25.84 44.77 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.422 2.081 . . . . 0.0 112.667 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 169' ' ' TYR . . . . . 0.412 ' CG ' HD11 ' A' ' 94' ' ' LEU . 41.5 t80 -56.89 -53.12 61.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.856 0.36 . . . . 0.0 110.883 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.74 -50.12 74.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.965 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 53.9 mt -56.26 -36.93 69.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.053 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -58.14 -40.67 81.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.953 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -85.15 -40.87 16.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 9.2 m -97.84 30.86 2.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.031 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.432 -1.204 . . . . 0.0 112.487 -179.928 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 11.7 m . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.847 0.356 . . . . 0.0 111.311 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -66.97 -50.18 63.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.769 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.423 ' CD1' ' N ' ' A' ' 89' ' ' ASP . 3.5 pp -61.01 -46.13 92.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.878 0.37 . . . . 0.0 111.024 -179.562 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.423 ' N ' ' CD1' ' A' ' 88' ' ' LEU . 22.0 m-20 -57.69 -43.09 84.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.045 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -68.07 -41.88 81.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.727 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.72 -33.98 72.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.924 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.1 -41.08 86.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -60.95 -48.13 83.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.213 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.419 HD11 ' CD2' ' A' ' 169' ' ' TYR . 0.7 OUTLIER -66.08 -41.05 91.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.085 -179.618 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.08 -44.07 69.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.468 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.31 -34.02 65.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.298 -179.562 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -66.27 -49.0 68.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.276 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 25.9 m95 -66.05 -38.78 89.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.183 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -55.96 -42.52 76.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.108 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.5 mt -58.95 -31.75 68.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.648 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -73.86 -48.36 31.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.537 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.94 -13.05 1.12 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.751 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 43.6 p -94.75 -162.36 0.94 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.773 0.32 . . . . 0.0 110.849 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.3 t -153.45 144.71 23.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.783 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.4 tt -78.42 126.86 31.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.855 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -128.01 132.31 49.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.7 mp -113.89 82.35 6.67 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.243 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.403 ' HG2' ' CE1' ' A' ' 161' ' ' HIS . 50.8 Cg_exo -53.4 179.49 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.623 2.215 . . . . 0.0 112.294 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 29.3 t -125.04 113.11 34.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.016 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.4 t -111.35 138.05 41.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.206 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 61.65 35.93 16.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.017 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 58.56 30.35 19.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -151.48 165.34 34.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.816 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 28.6 mt -78.16 141.3 15.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.101 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.2 tt -87.43 131.95 34.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.01 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -69.46 165.57 20.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.42 -67.35 0.47 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.029 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -56.74 -51.28 69.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.29 -33.21 74.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.206 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 45.1 tp -68.71 -43.03 76.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.973 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 20.6 t -58.01 -36.99 73.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.033 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.1 mmtm -68.21 -42.79 79.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.083 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 13.7 mt -58.85 -44.12 89.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.359 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 18.6 t -59.67 -50.18 80.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.859 0.361 . . . . 0.0 111.131 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.86 -42.82 98.61 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.31 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 42.0 p -56.77 -25.4 55.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.206 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -84.08 -25.08 30.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 151.46 -21.37 0.94 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.669 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 145.89 -57.91 0.51 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.515 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.402 ' CE2' ' OE1' ' A' ' 163' ' ' GLU . 56.3 t80 -178.09 -58.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.836 0.35 . . . . 0.0 110.724 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -59.64 -34.25 72.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.956 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -39.24 88.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.413 HG12 ' CD2' ' A' ' 139' ' ' TRP . 24.1 t -66.81 -44.81 88.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 3.8 m -70.0 -44.39 69.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.962 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 15.3 mmtt -61.69 -37.89 85.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.993 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -92.13 -13.37 30.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.315 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.19 34.73 4.82 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.817 0.341 . . . . 0.0 110.792 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.87 0.17 45.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.368 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.413 ' CD2' HG12 ' A' ' 133' ' ' VAL . 81.3 m95 -58.89 -32.41 69.48 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.839 0.352 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.9 m -61.81 -41.38 97.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -63.35 -32.16 73.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.927 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 29.3 t -62.42 -48.38 88.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -68.05 -33.4 78.85 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.459 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 14.8 m -65.35 -37.32 86.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.787 0.327 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -31.56 71.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 2.2 tt -78.56 -66.19 0.89 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 160.22 42.64 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.474 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -97.24 118.38 33.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.826 0.346 . . . . 0.0 110.815 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 91.1 mt -61.2 150.28 79.83 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -69.28 92.17 0.47 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.624 2.216 . . . . 0.0 112.167 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -100.41 -147.68 21.36 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.409 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -99.31 -30.16 12.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.847 0.356 . . . . 0.0 111.042 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . 0.412 ' O ' ' HB ' ' A' ' 154' ' ' THR . . . -143.36 -115.93 1.1 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.674 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' THR . . . . . 0.412 ' HB ' ' O ' ' A' ' 153' ' ' GLY . 9.8 m 78.5 -7.88 1.73 Allowed 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -75.33 -41.97 29.37 Favored Glycine 0 C--N 1.334 0.423 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.585 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 24.3 m -61.32 -39.45 90.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.819 0.342 . . . . 0.0 110.965 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 4.1 mp -63.95 -45.95 86.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 10.2 mt -65.58 -42.01 92.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.755 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? -72.11 -38.55 69.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.855 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 62.3 m -66.96 -44.4 80.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' HIS . . . . . 0.403 ' CE1' ' HG2' ' A' ' 108' ' ' PRO . 42.3 m-70 -64.01 -41.85 97.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.786 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -61.91 -49.12 77.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.804 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.402 ' OE1' ' CE2' ' A' ' 130' ' ' PHE . 50.7 tt0 -91.43 70.32 5.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.843 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -166.2 -41.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.16 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 2.4 mt -127.24 -39.42 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.667 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 62.6 mt -84.24 -53.15 5.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.587 -179.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 167' ' ' TYR . . . . . 0.497 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 1.4 t80 -58.64 -55.94 40.86 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.599 -179.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 168' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 17.3 Cg_endo -58.66 -27.11 82.0 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.205 1.937 . . . . 0.0 112.643 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 169' ' ' TYR . . . . . 0.419 ' CD2' HD11 ' A' ' 94' ' ' LEU . 20.2 t80 -56.97 -53.22 60.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.778 0.323 . . . . 0.0 110.835 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.95 -50.23 74.59 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.902 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 67.5 mt -57.98 -38.69 76.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.077 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -57.26 -35.54 69.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.993 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -77.98 -44.03 27.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 1.9 m -99.37 30.32 3.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.333 -1.259 . . . . 0.0 112.423 -179.929 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 29.0 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.818 0.342 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.5 ttt180 -60.19 -48.01 83.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.7 tt -66.25 -40.61 90.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.989 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -57.74 -42.62 84.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.118 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -62.44 -42.68 99.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.045 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.4 mt -60.85 -33.06 72.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -65.9 -43.72 87.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.078 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 56.5 mm-40 -65.88 -40.68 91.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.981 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.5 tt -63.01 -46.55 87.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.013 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.91 -41.39 74.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.34 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -65.03 -44.82 87.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.16 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -60.66 -49.04 79.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.09 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 40.0 m95 -66.09 -32.81 74.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.26 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -55.73 -41.59 74.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 0.0 111.092 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 29.0 mt -62.3 -30.86 71.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.82 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -70.33 -40.21 74.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 114.95 16.5 7.31 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.905 -0.665 . . . . 0.0 112.667 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.48 -22.01 10.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.699 0.285 . . . . 0.0 111.17 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 56.09 169.18 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.869 0.366 . . . . 0.0 111.054 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 62.2 tp -113.5 124.79 53.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.971 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 19.1 tptm -119.56 109.96 16.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.656 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 4.8 mt -62.02 110.14 2.95 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.243 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -75.54 126.25 9.5 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.37 2.047 . . . . 0.0 112.367 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.5 t -94.29 116.78 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.028 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 25.2 t -125.14 137.88 56.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.205 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 60.65 35.97 19.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 6.7 ttm-85 58.14 29.57 18.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 7.2 tttm -146.34 166.93 24.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.819 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 29.6 mm -85.58 140.54 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 8.9 tt -92.79 111.21 22.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -59.05 175.23 0.3 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 30.4 mt -142.85 -55.45 0.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.011 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -58.86 -51.37 70.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.97 -39.3 94.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.236 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 42.9 tp -68.83 -39.15 80.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.0 t -57.86 -39.36 77.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.084 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -68.04 -41.02 82.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 23.1 mt -58.81 -46.25 91.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.382 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.419 HG23 ' CH2' ' A' ' 139' ' ' TRP . 17.5 t -59.33 -50.28 80.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.149 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.34 -46.27 89.09 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.29 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 78.6 p -56.8 -25.67 56.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.173 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.02 -24.65 30.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.998 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 154.08 -23.46 0.69 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.679 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 139.41 -55.3 0.66 Allowed Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.343 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -178.57 -56.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.99 0.424 . . . . 0.0 110.948 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -59.47 -42.08 91.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.002 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -61.0 -34.61 75.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.794 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.412 HG11 ' CD1' ' A' ' 139' ' ' TRP . 20.2 t -66.98 -46.3 85.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.156 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 28.1 m -69.97 -35.08 74.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 8.7 mtpt -61.87 -31.13 71.37 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.048 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -104.09 -11.97 17.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.287 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 23.9 tttt 65.93 34.99 6.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.815 0.341 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 11.3 mmtm -80.58 -4.71 55.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.3 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.424 ' CD2' ' HG3' ' A' ' 159' ' ' LYS . 97.3 m95 -55.54 -37.4 67.92 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.754 0.312 . . . . 0.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.62 -41.85 99.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.794 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.71 -35.26 80.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 25.1 t -59.68 -48.45 87.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -59.2 -36.86 90.54 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 16.7 m -66.48 -38.03 86.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.846 0.355 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 22.4 mtm-85 -69.95 -33.99 72.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.45 -42.0 98.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 135.56 44.4 0.1 Allowed Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.396 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -105.12 166.17 10.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.914 0.387 . . . . 0.0 110.954 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 3.4 mt -88.04 153.57 51.84 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -68.58 145.01 62.71 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.555 2.17 . . . . 0.0 112.304 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 155.57 -171.03 33.58 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.476 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -124.91 134.17 52.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.825 0.345 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 108.14 28.18 4.78 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.466 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 1.1 m -118.23 -39.89 3.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.858 0.361 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -58.75 -39.74 94.06 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.536 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 6.4 m -61.16 -38.29 85.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.781 0.325 . . . . 0.0 110.814 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 11.1 mp -69.65 -44.23 70.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 4.0 mt -60.01 -40.12 88.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.937 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . 0.424 ' HG3' ' CD2' ' A' ' 139' ' ' TRP . 1.0 OUTLIER -67.15 -43.34 82.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 3.6 m -66.96 -46.1 75.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 48.9 m-70 -65.81 -41.58 91.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . 0.405 ' CE2' ' CD1' ' A' ' 167' ' ' TYR . 86.6 t80 -58.43 -46.88 85.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -93.13 47.85 1.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.824 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -132.83 -43.68 0.89 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.016 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 1.5 mp -129.21 -50.15 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.891 0.377 . . . . 0.0 111.409 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -63.21 -61.89 2.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.485 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 167' ' ' TYR . . . . . 0.498 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 2.9 t80 -53.06 -56.35 24.6 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.868 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 168' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 15.1 Cg_endo -57.7 -29.35 85.27 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.238 1.959 . . . . 0.0 112.52 -179.703 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -57.45 -53.05 62.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.767 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -56.3 -49.45 74.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.818 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 9.1 mp -54.91 -33.88 62.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.973 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -68.23 -31.4 70.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -68.55 -44.2 75.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.018 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 1.8 m 176.97 40.81 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.966 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.433 -1.204 . . . . 0.0 112.58 179.896 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 18.3 m . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.793 0.33 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -58.66 -49.56 77.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.952 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.4 mp -66.94 -46.05 75.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.967 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.74 -43.16 85.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.031 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -67.24 -44.03 80.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.98 -36.7 77.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.983 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -67.07 -36.86 82.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -72.01 -39.9 68.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 19.8 tp -59.56 -48.86 80.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.989 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.91 -43.09 72.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.226 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -64.96 -41.43 95.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.1 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -66.77 -49.29 66.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.945 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 38.8 m95 -66.24 -35.57 80.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.071 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.79 -40.34 72.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.072 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 16.4 mt -64.71 -30.97 72.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -68.51 -39.38 81.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 109.79 23.84 6.04 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.58 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.3 m -106.11 -26.63 11.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.778 0.323 . . . . 0.0 111.026 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 19.4 m 64.85 107.2 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 6.6 tt -64.64 133.05 51.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.975 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.419 ' O ' ' HD3' ' A' ' 108' ' ' PRO . 33.4 mttp -128.04 132.2 49.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.808 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.5 mt -105.11 100.97 27.61 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.034 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.419 ' HD3' ' O ' ' A' ' 106' ' ' LYS . 2.9 Cg_exo -76.12 168.05 24.78 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.837 2.358 . . . . 0.0 112.269 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.9 t -125.1 117.43 49.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.756 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 15.5 t -107.03 133.15 52.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.356 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 56.65 39.58 29.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.056 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 25.2 mtm-85 56.53 26.67 11.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.965 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -138.28 139.08 38.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.792 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 13.7 mt -72.84 139.13 20.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.121 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.6 tt -101.61 110.82 22.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -59.39 175.47 0.32 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.949 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -126.18 -61.32 1.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.009 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -56.81 -51.15 70.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.947 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -56.75 -38.82 72.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.314 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.414 HD11 ' CE1' ' A' ' 162' ' ' TYR . 0.2 OUTLIER -69.0 -38.97 79.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 -179.901 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 10.3 t -58.4 -44.39 88.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.173 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -61.95 -45.53 93.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.157 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 45.3 mt -58.81 -49.05 84.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.384 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.424 HG21 ' CE1' ' A' ' 162' ' ' TYR . 20.7 t -58.88 -50.13 80.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.861 0.362 . . . . 0.0 111.311 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -58.0 -47.19 83.75 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.139 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 27.2 p -56.99 -22.26 37.06 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.398 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -87.69 -40.1 14.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.854 0.359 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 156.5 42.38 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.594 -0.813 . . . . 0.0 112.708 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 75.63 -63.28 2.69 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.749 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -177.24 -51.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.332 . . . . 0.0 111.13 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -56.74 -44.73 81.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.189 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 3.1 ttm -60.93 -32.77 72.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.878 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 21.4 t -67.01 -48.65 78.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.11 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 2.9 m -65.64 -39.69 91.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.011 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -37.91 86.18 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -93.11 -13.8 28.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.18 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt 65.94 38.3 5.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.831 0.348 . . . . 0.0 110.79 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 16.0 mtpt -89.46 9.57 25.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.297 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.4 ' CE2' ' HG2' ' A' ' 159' ' ' LYS . 88.0 m95 -65.4 -32.02 73.42 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.826 0.346 . . . . 0.0 110.756 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 6.5 m -66.55 -41.53 88.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.755 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 4.6 mtmt -65.35 -34.76 79.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.772 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 38.2 t -60.18 -45.22 96.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -68.93 -32.97 73.97 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.567 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 67.3 m -58.81 -36.32 74.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.339 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.02 -29.58 64.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.808 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.16 -66.35 0.77 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.828 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 171.84 41.54 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.509 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -115.08 134.34 55.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.833 0.349 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 34.2 mt -105.77 141.78 23.41 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.773 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.18 154.17 14.67 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.535 2.157 . . . . 0.0 112.302 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -176.05 -82.33 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.492 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.47 -38.66 3.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.889 0.376 . . . . 0.0 110.956 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 169.64 -77.72 0.1 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.473 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 9.7 m 62.93 17.58 10.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.731 0.3 . . . . 0.0 111.279 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -75.24 -42.0 29.73 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.571 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 25.5 m -65.29 -35.57 81.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.745 0.307 . . . . 0.0 110.982 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 2.7 mp -63.95 -45.05 90.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 37.3 mt -62.18 -40.46 96.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.828 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . 0.4 ' HG2' ' CE2' ' A' ' 139' ' ' TRP . 19.3 mtpt -72.01 -43.59 64.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 2.0 m -65.52 -46.08 81.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 36.6 m-70 -66.19 -43.6 86.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.769 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . 0.468 ' CE2' ' CD1' ' A' ' 167' ' ' TYR . 87.3 t80 -60.36 -49.05 79.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.707 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.405 ' HA ' ' CB ' ' A' ' 167' ' ' TYR . 22.6 tt0 -94.07 71.75 3.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.703 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.56 -39.19 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.519 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 2.7 mp -127.92 -61.63 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . 0.437 ' CD1' ' CD1' ' A' ' 162' ' ' TYR . 0.2 OUTLIER -64.53 -44.56 90.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.7 -179.242 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 167' ' ' TYR . . . . . 0.498 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 3.9 t80 -61.65 -57.26 25.84 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.522 -179.505 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 168' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 11.0 Cg_endo -55.09 -25.89 47.65 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.22 1.947 . . . . 0.0 112.298 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -60.33 -53.07 61.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.722 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -57.53 -50.13 74.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 89.8 mt -57.65 -34.1 68.99 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -62.92 -31.27 72.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.81 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -69.03 -44.41 72.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.551 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 7.1 m -106.73 26.75 9.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.571 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.028 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.49 -179.924 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 22.4 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.857 0.361 . . . . 0.0 111.229 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -65.25 -43.5 91.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.965 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.0 -44.01 90.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.8 -43.05 85.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.111 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -58.63 -43.25 89.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.9 mp -64.74 -34.38 78.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -67.13 -36.86 82.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.029 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -66.68 -47.69 71.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.877 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.425 HD13 ' CD2' ' A' ' 169' ' ' TYR . 3.9 tt -62.64 -42.1 99.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.13 -45.45 66.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.2 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -64.9 -36.82 85.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.022 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -67.12 -49.22 65.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.116 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 47.6 m95 -65.97 -36.58 83.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.964 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.95 -41.95 75.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.987 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 50.0 mt -59.01 -31.63 68.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.684 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.96 -44.5 54.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.693 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 145.82 -14.63 1.76 Allowed Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.723 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 14.8 p -94.04 -162.48 0.95 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.743 0.306 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -156.94 133.38 9.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.839 0.352 . . . . 0.0 110.713 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 25.9 tp -65.48 119.41 10.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -128.06 132.15 49.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.674 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 22.4 mm -105.82 101.06 30.97 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.195 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -60.18 165.38 10.8 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.494 2.129 . . . . 0.0 112.23 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 t -110.29 112.83 42.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.979 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.2 t -106.97 133.24 52.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.055 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.417 ' HG3' ' CD1' ' A' ' 148' ' ' TYR . 1.9 mm-40 59.32 35.99 23.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 59.74 35.75 22.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -150.44 153.64 36.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 32.0 mt -88.32 125.9 41.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.054 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.9 tp -90.01 143.62 26.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.955 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -78.29 174.21 11.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.785 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 5.0 mp -120.92 -55.72 1.97 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.999 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -55.9 -51.14 68.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.957 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.85 -45.91 78.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.383 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.17 -48.15 81.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 16.7 t -57.99 -36.63 72.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.081 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.93 -45.69 73.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.047 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 38.7 mt -58.92 -44.01 89.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.354 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 17.7 t -59.41 -50.18 80.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.801 0.334 . . . . 0.0 111.171 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.2 -41.32 88.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.318 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 15.5 p -56.82 -27.2 59.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.224 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.4 mptt -83.88 -25.76 29.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.973 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 153.55 -22.64 0.73 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.741 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 143.42 -56.07 0.56 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.444 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -179.67 -57.23 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.885 0.374 . . . . 0.0 110.855 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -59.93 -39.4 85.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.5 ttm -61.0 -34.03 74.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.416 HG13 ' CD2' ' A' ' 139' ' ' TRP . 21.7 t -66.99 -40.0 84.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.103 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 4.0 m -67.61 -46.07 73.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 10.4 mtpp -61.74 -38.09 86.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -85.41 -19.38 31.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.079 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 67.43 38.08 3.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.829 0.347 . . . . 0.0 110.803 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 62.8 mmtt -91.17 10.94 24.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.287 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.416 ' CD2' HG13 ' A' ' 133' ' ' VAL . 64.7 m95 -65.23 -39.58 92.94 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.841 0.353 . . . . 0.0 110.816 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 3.6 m -64.31 -36.54 84.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -67.72 -35.67 79.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.848 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 21.9 t -59.73 -42.47 88.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.049 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -67.82 -39.16 89.85 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.426 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 3.2 m -59.96 -35.96 76.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.772 0.32 . . . . 0.0 110.842 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.53 -31.27 72.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.33 -71.51 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 170.96 50.81 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.566 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . 0.417 ' CD1' ' HG3' ' A' ' 111' ' ' GLU . 23.3 m-85 -112.71 153.73 27.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.817 0.341 . . . . 0.0 110.953 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 5.4 mt -92.61 146.62 32.67 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.87 162.35 2.63 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.579 2.186 . . . . 0.0 112.265 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 144.83 -160.43 27.99 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.508 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 14.5 mtpt -105.2 128.93 53.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.787 0.327 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 106.88 -136.57 13.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.459 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 10.2 m 69.47 -63.53 0.38 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.802 0.334 . . . . 0.0 111.157 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -56.88 -33.95 64.47 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.602 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 67.8 m -60.89 -40.01 91.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.903 0.383 . . . . 0.0 110.933 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 5.2 mp -74.09 -41.47 61.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 11.3 mt -62.95 -45.11 94.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -48.09 83.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 48.0 m -67.12 -37.18 83.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 -66.83 -48.01 70.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -60.48 -49.02 79.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.838 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -88.82 54.82 3.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.796 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.03 -43.9 0.2 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.007 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 2.6 mp -132.16 -41.43 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.448 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 5.3 mp -73.51 -64.35 1.01 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.368 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 167' ' ' TYR . . . . . 0.543 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 1.7 t80 -51.5 -54.99 33.24 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.985 -179.447 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 168' ' ' PRO . . . . . 0.543 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 10.4 Cg_endo -54.72 -26.05 45.18 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.333 2.022 . . . . 0.0 112.74 -179.343 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 169' ' ' TYR . . . . . 0.425 ' CD2' HD13 ' A' ' 94' ' ' LEU . 17.4 t80 -57.73 -53.2 60.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.877 0.37 . . . . 0.0 110.737 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -60.19 -49.95 75.58 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.774 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 3.8 mt -54.92 -34.47 63.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.993 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -65.71 -32.11 73.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.814 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 60.2 mm-40 -64.2 -44.33 92.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.613 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 3.3 m -110.91 26.29 10.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.511 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.44 -1.2 . . . . 0.0 112.52 179.997 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 28.3 m . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.764 0.316 . . . . 0.0 111.302 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.6 mtp180 -65.83 -50.07 65.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.066 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.5 tt -61.31 -43.68 98.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.888 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -57.81 -42.78 84.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.092 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -67.11 -45.67 76.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.4 mt -59.95 -32.98 71.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -62.17 -47.09 86.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -62.49 -48.05 81.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.464 ' CD1' ' CG ' ' A' ' 169' ' ' TYR . 39.7 tp -64.14 -43.85 93.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.881 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.12 -45.4 66.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.302 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -69.26 -41.08 77.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.192 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -61.84 -49.49 76.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.044 -179.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 34.4 m95 -66.51 -37.79 85.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.075 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -55.81 -44.37 77.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.154 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 7.0 mt -60.33 -31.25 70.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -66.63 -39.27 88.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 115.79 17.66 6.35 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.632 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.21 -28.07 7.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.724 0.297 . . . . 0.0 110.983 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 7.1 m 64.42 147.58 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.4 tt -88.22 127.1 35.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.98 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -128.07 128.2 44.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.672 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 5.0 mt -102.81 94.04 4.88 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.164 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.25 132.94 23.56 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.508 2.139 . . . . 0.0 112.268 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.5 t -83.03 123.51 38.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.004 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.4 t -116.56 129.18 73.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.184 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 58.59 39.44 24.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.991 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.29 28.83 18.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -138.56 143.93 39.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 10.3 mt -78.75 123.56 35.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.066 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.0 tp -73.23 105.34 4.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -59.92 164.04 4.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.7 mp -118.97 -66.99 1.02 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.997 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -54.85 -51.24 66.51 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.858 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.74 -39.42 91.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.191 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 27.7 tp -64.39 -47.16 80.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 41.9 t -57.99 -34.93 70.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.074 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.61 -45.87 74.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.123 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 45.1 mt -58.76 -44.84 91.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.395 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.6 t -58.85 -50.32 79.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.132 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.19 -46.11 90.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.273 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 97.8 p -56.75 -24.52 50.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.34 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt -82.85 -22.57 34.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.862 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 149.8 -21.64 1.15 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.474 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 138.51 -56.42 0.65 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.287 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -179.02 -57.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.84 0.352 . . . . 0.0 110.842 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -61.24 -36.95 81.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.976 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 78.1 mmm -61.01 -34.79 75.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.42 HG11 ' CD2' ' A' ' 139' ' ' TRP . 16.5 t -67.02 -45.87 86.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.153 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 6.5 m -70.03 -31.93 69.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.999 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 13.8 mtmm -61.64 -33.02 73.22 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.001 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -112.75 2.91 16.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.496 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 57.93 35.41 25.31 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.823 0.344 . . . . 0.0 110.955 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -75.55 -6.7 51.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.45 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.421 ' CE2' ' HG2' ' A' ' 159' ' ' LYS . 93.4 m95 -56.15 -34.46 66.17 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.804 0.335 . . . . 0.0 111.09 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 2.4 m -63.46 -33.02 74.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -71.97 -36.39 69.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 21.5 t -60.6 -48.97 86.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -65.34 -34.75 90.24 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.484 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 17.6 m -62.31 -41.83 98.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.943 0.401 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -61.94 -34.05 75.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.89 -29.34 70.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.826 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 117.95 33.61 1.25 Allowed Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.635 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -86.89 154.47 20.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.764 0.316 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 2.9 mt -86.41 134.54 37.99 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.6 173.55 0.24 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.457 2.105 . . . . 0.0 112.153 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 120.72 -104.02 0.95 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.55 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.53 173.95 7.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.809 0.338 . . . . 0.0 110.935 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -88.05 132.21 11.08 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.586 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 1.7 m -106.68 -21.49 13.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.753 0.311 . . . . 0.0 111.066 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -56.89 -34.03 64.64 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.684 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 49.8 m -68.09 -36.59 80.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.924 0.393 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 4.0 mp -74.11 -41.31 61.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 8.9 mt -64.36 -39.09 93.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . 0.421 ' HG2' ' CE2' ' A' ' 139' ' ' TRP . 0.0 OUTLIER -64.0 -47.04 81.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.955 -179.879 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 2.4 m -63.83 -44.88 91.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.07 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 29.8 m-70 -72.02 -43.69 64.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.064 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -62.65 -49.06 76.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.132 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -94.43 67.55 3.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.101 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -160.69 -49.62 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 1.7 mp -123.61 -26.03 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.744 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 1.5 tt -92.47 -64.56 1.09 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.75 0.31 . . . . 0.0 111.365 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 167' ' ' TYR . . . . . 0.549 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 1.8 t80 -48.58 -55.32 20.05 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.774 -179.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 168' ' ' PRO . . . . . 0.549 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 11.0 Cg_endo -54.76 -29.25 61.34 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.392 2.061 . . . . 0.0 112.809 -179.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 169' ' ' TYR . . . . . 0.464 ' CG ' ' CD1' ' A' ' 94' ' ' LEU . 24.2 t80 -57.6 -53.21 60.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 0.0 110.874 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -58.11 -50.16 74.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 5.8 mt -59.87 -34.15 72.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.979 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -58.73 -37.41 76.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -85.15 -42.78 14.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 12.9 m -97.92 31.16 2.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.156 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.274 -1.292 . . . . 0.0 112.608 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 10.6 m . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.851 0.358 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.9 -50.02 70.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.54 -44.76 89.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.745 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.9 -39.32 77.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -58.69 -42.22 88.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.1 mt -62.17 -33.02 73.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.73 -46.6 74.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.972 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -61.56 -42.36 98.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.426 HD13 ' CG ' ' A' ' 169' ' ' TYR . 20.1 tp -66.53 -45.67 78.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.95 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.09 -38.51 75.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.386 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.0 mttt -74.41 -44.62 51.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.14 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -62.37 -49.27 76.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.99 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 39.3 m95 -66.36 -33.14 75.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.939 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.83 -39.34 71.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.006 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.3 mp -59.04 -33.47 70.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -70.03 -44.35 69.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 112.5 23.99 5.19 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.494 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.6 -25.01 13.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.748 0.309 . . . . 0.0 111.074 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 7.8 m 65.38 128.51 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.833 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 45.4 tp -78.93 126.4 30.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.013 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.405 ' O ' ' HD3' ' A' ' 108' ' ' PRO . 1.2 mttp -128.14 132.4 48.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.619 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.1 mp -108.11 98.53 26.83 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.284 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 106' ' ' LYS . 17.7 Cg_exo -66.57 176.29 4.35 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.707 2.271 . . . . 0.0 112.305 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 31.2 t -122.88 120.87 61.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.77 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 20.8 t -109.62 122.1 63.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.393 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 55.56 45.09 25.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.149 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.99 27.53 13.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.94 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 5.0 tttm -136.92 140.33 42.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.786 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 3.5 mp -69.66 138.54 21.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.04 112.7 22.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -69.03 157.65 36.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.804 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.6 mp -115.88 -58.25 2.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.066 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.41 ' CE2' ' HE3' ' A' ' 122' ' ' LYS . 13.7 t80 -56.22 -51.12 69.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.04 -44.9 95.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.322 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.76 -48.98 79.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.059 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.5 t -58.63 -35.65 72.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.106 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.41 ' HE3' ' CE2' ' A' ' 118' ' ' TYR . 20.6 mttt -67.95 -46.69 70.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.064 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 23.6 mt -58.96 -39.75 78.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.384 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 22.1 t -62.26 -50.27 80.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.102 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.5 -38.57 84.74 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.288 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 25.9 p -56.76 -26.74 58.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.276 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.91 -25.59 30.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.916 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 152.3 -22.44 0.86 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.614 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 145.88 -58.96 0.5 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.346 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.416 ' HB2' ' CZ ' ' A' ' 167' ' ' TYR . 19.7 t80 -179.48 -56.92 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.832 0.349 . . . . 0.0 110.861 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -57.44 -39.23 75.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.999 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 4.3 mmm -60.95 -37.63 83.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.756 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.42 HG11 ' CD2' ' A' ' 139' ' ' TRP . 25.0 t -67.01 -44.45 88.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.074 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.2 m -69.11 -45.74 69.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.66 -35.81 79.03 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.954 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -89.55 -19.62 24.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.018 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.94 37.75 2.99 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.883 0.373 . . . . 0.0 111.002 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -97.43 18.26 15.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.42 ' CD2' HG11 ' A' ' 133' ' ' VAL . 62.0 m95 -67.06 -34.9 78.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.875 0.369 . . . . 0.0 110.897 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 5.4 m -59.94 -38.86 83.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.832 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -62.02 -32.29 72.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 21.6 t -63.51 -49.0 84.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.152 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -61.52 -32.76 82.38 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.606 -0.806 . . . . 0.0 112.511 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 22.4 m -65.92 -43.24 88.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.787 0.327 . . . . 0.0 110.843 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -31.27 71.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 7.1 mt -73.73 -31.33 63.31 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.813 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 122.1 45.08 0.34 Allowed Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.576 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -101.21 158.95 15.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.804 0.335 . . . . 0.0 110.88 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 16.4 mt -103.58 153.82 38.33 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -68.6 132.46 25.33 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.536 2.157 . . . . 0.0 112.238 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 179.63 -171.26 42.9 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.49 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 47.4 mttp -96.39 143.09 27.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.908 0.385 . . . . 0.0 110.782 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 60.13 90.64 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.588 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 49.8 m -158.67 -53.66 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.765 0.316 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -61.49 -38.84 96.45 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.634 -0.794 . . . . 0.0 112.499 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 67.9 m -66.04 -34.4 77.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.852 0.358 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 9.7 mp -65.29 -46.06 81.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.803 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 44.8 mt -60.88 -35.44 76.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.956 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.76 -38.16 79.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 68.3 m -66.55 -45.7 78.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -63.93 -43.11 96.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -62.91 -35.5 80.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.403 ' OE1' ' CZ ' ' A' ' 130' ' ' PHE . 11.7 tp10 -97.07 44.79 1.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.828 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.64 -46.39 0.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 1.8 mp -134.8 -36.18 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.394 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 5.9 mp -69.5 -74.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.494 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 167' ' ' TYR . . . . . 0.569 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 2.1 t80 -54.74 -53.45 60.41 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.292 -0.413 . . . . 0.0 112.045 -179.415 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 168' ' ' PRO . . . . . 0.569 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 9.3 Cg_endo -54.49 -25.77 41.91 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.253 1.968 . . . . 0.0 112.826 -179.12 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 169' ' ' TYR . . . . . 0.444 ' CE1' ' NE2' ' A' ' 173' ' ' GLN . 58.9 t80 -58.61 -53.08 62.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.757 0.313 . . . . 0.0 110.661 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.43 -50.15 70.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 51.5 mt -54.9 -33.9 62.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.068 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -68.38 -32.0 71.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 173' ' ' GLN . . . . . 0.444 ' NE2' ' CE1' ' A' ' 169' ' ' TYR . 60.2 mm-40 -66.39 -44.05 84.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.963 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 2.3 m -179.96 39.21 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.923 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.132 0 CA-C-O 118.404 -1.22 . . . . 0.0 112.571 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 17.1 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.726 0.298 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.3 ttp180 -63.49 -44.69 93.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.49 -43.49 96.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.8 -43.08 85.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.157 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -60.23 -41.93 94.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.083 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.82 -41.48 97.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.073 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -61.34 -37.11 82.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.231 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -68.13 -43.24 78.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.03 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.426 ' HG ' ' CG ' ' A' ' 169' ' ' TYR . 4.2 tt -68.0 -42.92 79.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.962 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.04 -44.98 68.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.247 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.92 -41.81 95.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.161 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -59.56 -49.12 79.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 42.6 m95 -66.03 -36.14 82.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.9 -39.79 72.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 64.1 mt -59.15 -38.69 80.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.807 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -63.01 -45.03 94.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.835 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 114.86 22.94 4.82 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.487 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -103.93 -25.35 13.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.729 0.299 . . . . 0.0 111.02 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 10.6 m 68.84 119.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.753 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.4 ' CD2' ' CG2' ' A' ' 165' ' ' ILE . 0.4 OUTLIER -79.23 126.18 30.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.081 -179.826 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.05 109.85 14.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.759 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 4.7 mt -71.89 110.91 8.76 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.08 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -69.03 156.16 66.12 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.446 2.097 . . . . 0.0 112.198 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 t -117.01 112.78 40.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.174 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.4 t -112.07 135.29 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 60.49 32.93 20.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 61.0 32.27 19.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -151.34 155.11 38.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 32.2 mt -77.22 132.49 32.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.088 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 7.6 tt -87.17 122.53 31.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.046 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -67.13 142.23 57.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.784 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 14.0 mt -98.58 -54.45 3.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.974 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -56.93 -51.03 70.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.2 -46.65 89.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.16 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.3 tp -62.61 -41.68 99.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.021 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.0 t -58.3 -38.73 77.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.078 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.1 mmtm -68.11 -45.03 74.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.08 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 55.1 mt -58.73 -38.67 73.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.368 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 16.9 t -68.07 -50.29 60.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.101 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.34 -44.8 95.63 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.249 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 35.9 p -56.71 -24.35 48.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.224 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.77 -24.55 33.41 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.86 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 151.85 -22.4 0.9 Allowed Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.625 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 145.38 -61.27 0.48 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.507 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.419 ' CZ ' ' HE2' ' A' ' 159' ' ' LYS . 88.7 t80 -178.83 -59.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.899 0.38 . . . . 0.0 110.821 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -58.96 -37.23 76.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.987 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -61.0 -38.32 85.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.783 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.415 HG13 ' CE2' ' A' ' 139' ' ' TRP . 16.2 t -66.99 -39.91 84.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.056 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.46 -46.01 74.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -61.96 -38.11 87.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.981 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -86.6 -20.67 27.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.039 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 10.2 tttt 65.88 37.1 5.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.914 0.388 . . . . 0.0 110.816 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.78 8.5 28.65 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.358 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.415 ' CE2' HG13 ' A' ' 133' ' ' VAL . 85.8 m95 -62.25 -32.01 72.65 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.796 0.332 . . . . 0.0 110.73 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 7.4 m -60.84 -37.43 82.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.749 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -69.66 -33.38 72.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.8 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 29.9 t -59.95 -47.06 93.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.007 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -64.26 -35.31 91.81 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.415 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 3.2 m -61.24 -37.76 84.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.824 0.345 . . . . 0.0 110.809 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.25 -31.61 72.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 9.3 mp -78.86 -59.32 2.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 156.1 43.99 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.475 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -105.58 137.43 43.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.892 0.377 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 24.2 mt -104.65 153.81 38.95 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.58 117.71 5.06 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.516 2.144 . . . . 0.0 112.313 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -131.67 -112.32 1.43 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.534 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -105.66 -60.23 1.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.797 0.332 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -163.87 91.37 0.11 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.414 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 5.2 m -110.66 -30.26 7.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.8 0.334 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -58.42 -41.9 95.49 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.525 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 1.6 m -63.53 -31.22 72.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.883 0.373 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -72.95 -32.64 65.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.954 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 77.3 mt -67.9 -44.94 75.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . 0.419 ' HE2' ' CZ ' ' A' ' 130' ' ' PHE . 3.3 tmtt? -61.93 -44.92 95.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.922 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 5.3 m -66.8 -43.1 84.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -65.03 -43.61 91.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . 0.439 ' CE2' ' CD1' ' A' ' 167' ' ' TYR . 70.9 t80 -61.37 -49.01 78.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.958 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -90.93 70.16 6.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.36 -41.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.101 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.4 ' CG2' ' CD2' ' A' ' 105' ' ' LEU . 1.9 mp -129.39 -42.1 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.524 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 1.3 tt -78.03 -57.31 3.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.531 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 167' ' ' TYR . . . . . 0.54 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 1.5 t80 -55.29 -55.45 39.49 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.824 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 168' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 10.4 Cg_endo -54.78 -25.72 44.14 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.401 2.068 . . . . 0.0 112.849 -179.375 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 169' ' ' TYR . . . . . 0.426 ' CG ' ' HG ' ' A' ' 94' ' ' LEU . 27.7 t80 -56.8 -53.19 60.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 110.779 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.94 -50.05 74.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.042 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 6.2 mp -56.07 -34.0 65.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.16 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -65.32 -31.34 72.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 -66.39 -44.32 83.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.572 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -110.27 26.83 10.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.52 179.561 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.324 -1.264 . . . . 0.0 112.491 180.0 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 15.6 m . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.808 0.337 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -63.23 -49.18 75.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.24 -42.74 99.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.77 -42.91 85.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -58.38 -48.97 78.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.2 mp -60.02 -32.97 71.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.05 -45.44 93.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.939 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 61.7 mm-40 -66.32 -40.05 89.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.414 HD11 ' CG ' ' A' ' 169' ' ' TYR . 56.0 tp -64.97 -45.21 86.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.801 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.85 -43.13 72.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.5 mmtm -66.29 -43.33 86.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -63.52 -49.12 74.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.048 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 33.8 m95 -66.02 -36.14 82.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -55.8 -42.59 75.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.039 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.7 mt -60.99 -31.82 71.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.833 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -70.45 -41.72 72.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 112.4 22.87 5.66 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.498 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.09 -27.0 13.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.81 0.338 . . . . 0.0 111.06 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 23.6 m 65.54 105.61 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.31 134.79 55.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.018 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -128.03 132.17 49.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.751 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.0 mp -99.19 96.96 4.68 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.234 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.71 132.98 24.56 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.469 2.113 . . . . 0.0 112.351 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 t -94.91 116.69 36.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.986 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 18.2 t -106.94 123.12 61.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.196 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 59.99 38.44 20.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.38 30.02 19.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.956 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.8 mtmp? -142.51 144.86 33.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 3.6 mp -73.74 131.36 35.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.079 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 7.9 tt -79.41 119.19 22.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -60.28 152.45 24.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.823 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.9 mp -124.6 -54.47 1.66 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.08 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -55.24 -51.18 67.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.126 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.19 -47.14 80.92 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.333 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 49.6 tp -58.94 -41.23 86.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.251 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.7 t -58.02 -38.91 77.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.15 -40.18 82.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.105 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 71.3 mt -58.91 -48.93 84.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.369 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.422 HG21 ' CE2' ' A' ' 162' ' ' TYR . 19.6 t -57.22 -50.24 77.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.31 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.61 -43.21 99.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.232 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 17.4 p -56.74 -24.83 52.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.258 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.12 -24.19 30.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.964 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 148.62 -19.4 1.3 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.668 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 144.87 -55.62 0.55 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.45 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.437 ' HB2' ' CZ ' ' A' ' 167' ' ' TYR . 12.1 t80 -178.69 -55.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.81 0.338 . . . . 0.0 110.972 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -58.33 -38.62 77.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.925 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.01 -35.08 75.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.416 HG12 ' CD1' ' A' ' 139' ' ' TRP . 30.4 t -67.03 -43.29 89.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.012 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 4.1 m -69.69 -45.4 68.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 36.8 mttt -61.77 -32.68 72.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -92.61 -13.54 29.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.228 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 66.33 31.69 8.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.876 0.37 . . . . 0.0 110.774 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt -76.76 -13.81 59.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.28 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.416 ' CD1' HG12 ' A' ' 133' ' ' VAL . 85.5 m95 -53.05 -38.54 62.53 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.79 0.329 . . . . 0.0 111.107 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 40.8 m -64.22 -40.54 96.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.762 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 9.1 mmmt -68.12 -33.41 74.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.859 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 35.4 t -60.44 -48.61 87.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.131 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -60.08 -39.15 95.39 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.523 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 70.4 m -67.07 -36.8 82.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.792 0.329 . . . . 0.0 110.946 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -34.1 76.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -68.66 -58.17 4.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.816 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 145.0 44.98 0.04 OUTLIER Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.58 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -91.64 176.7 6.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.765 0.317 . . . . 0.0 110.999 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.5 mt -120.9 154.01 57.51 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.68 98.8 0.8 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.519 2.146 . . . . 0.0 112.264 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -135.92 -160.74 8.96 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.531 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 19.2 mttp -79.83 102.73 9.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.778 0.323 . . . . 0.0 110.943 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 66.33 135.38 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.478 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -159.7 -46.29 0.05 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.795 0.331 . . . . 0.0 110.91 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -63.6 -41.75 99.02 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.544 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 2.3 m -64.49 -32.58 74.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 21.3 mt -65.28 -46.02 82.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.909 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 75.6 mt -60.5 -42.37 96.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.828 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . 0.405 ' HG2' ' CE2' ' A' ' 139' ' ' TRP . 0.0 OUTLIER -65.36 -40.93 94.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.817 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 13.4 m -67.0 -40.81 87.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 51.6 m-70 -72.05 -45.98 58.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . 0.422 ' CE2' HG21 ' A' ' 124' ' ' VAL . 75.2 t80 -59.04 -48.07 82.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -88.08 55.1 3.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.763 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.42 -43.94 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.098 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 2.6 mp -131.43 -42.74 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.43 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . 0.409 HD13 ' CD1' ' A' ' 162' ' ' TYR . 0.5 OUTLIER -69.75 -68.01 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.453 -179.535 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 167' ' ' TYR . . . . . 0.545 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 3.1 t80 -48.53 -54.61 24.93 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.978 -179.547 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 168' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 10.6 Cg_endo -54.86 -25.48 43.66 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.303 2.002 . . . . 0.0 112.534 -179.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 169' ' ' TYR . . . . . 0.414 ' CG ' HD11 ' A' ' 94' ' ' LEU . 17.6 t80 -56.91 -53.2 60.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.829 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.79 -50.06 75.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.925 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 7.7 mt -58.87 -40.02 83.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.126 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -58.65 -37.24 75.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.052 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -85.02 -43.02 14.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.991 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 3.0 m -97.18 30.55 2.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.058 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.301 -1.277 . . . . 0.0 112.533 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 8.1 m . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.857 0.361 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.99 -46.17 75.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.22 -43.6 94.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -57.87 -42.04 83.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.118 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -58.05 -50.07 74.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.01 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.7 mp -61.0 -32.9 72.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.96 -46.64 89.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.998 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 -61.46 -42.92 99.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.942 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.416 ' HG ' ' CD1' ' A' ' 169' ' ' TYR . 0.8 OUTLIER -68.0 -39.61 83.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.796 -179.868 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.98 -43.06 72.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.172 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -71.08 -33.0 69.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.993 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -66.05 -49.27 68.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.007 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 44.5 m95 -66.13 -35.55 80.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.976 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.78 -45.14 78.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.057 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.46 -31.18 72.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.591 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -70.89 -39.23 72.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.757 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 137.58 -9.49 3.72 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.875 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.9 -164.26 1.09 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.856 0.36 . . . . 0.0 110.86 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.0 t -152.4 143.13 22.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.743 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.21 120.43 26.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -127.81 128.07 44.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.722 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.7 mp -98.53 100.82 10.07 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.271 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.19 -179.75 4.25 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.495 2.13 . . . . 0.0 112.338 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.5 t -124.67 128.03 73.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.032 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 20.6 t -109.67 124.09 66.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.286 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 66.95 -66.84 0.18 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.093 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.42 38.88 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.752 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.53 160.3 34.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.679 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 3.7 mt -86.86 129.55 38.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.181 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 7.6 tt -76.91 103.05 6.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -58.47 159.22 6.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.969 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 16.3 mt -116.65 -59.78 1.93 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.407 ' CE2' ' HE3' ' A' ' 122' ' ' LYS . 14.5 t80 -57.08 -51.25 70.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.855 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.16 -42.39 99.42 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.078 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 31.8 tp -69.04 -33.02 72.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.976 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 37.0 t -69.08 -35.89 77.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.029 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.407 ' HE3' ' CE2' ' A' ' 118' ' ' TYR . 3.2 mttm -67.77 -45.3 75.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.992 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 56.2 mt -58.83 -38.85 75.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.404 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.42 HG21 ' CZ3' ' A' ' 139' ' ' TRP . 22.7 t -64.93 -50.23 76.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.235 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.33 -44.52 95.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.313 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 59.9 p -56.79 -26.75 58.49 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.251 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 11.2 mttm -84.17 -26.36 28.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.996 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 156.38 -23.98 0.51 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.608 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 134.63 -49.43 0.9 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.529 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.452 ' CD2' ' CZ ' ' A' ' 167' ' ' TYR . 7.9 t80 -176.72 -53.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.94 0.4 . . . . 0.0 110.893 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -59.68 -42.26 92.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 16.8 mmt -61.02 -39.06 88.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.974 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.415 HG13 ' CD2' ' A' ' 139' ' ' TRP . 20.7 t -66.88 -46.86 84.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.063 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.8 m -69.96 -39.09 76.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.978 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -61.69 -31.79 71.94 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -103.0 -0.53 30.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.447 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp 59.71 30.81 20.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.893 0.378 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.79 -11.92 60.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.296 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.42 ' CZ3' HG21 ' A' ' 124' ' ' VAL . 86.9 m95 -53.76 -39.72 65.59 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.851 0.358 . . . . 0.0 111.122 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 75.6 m -69.98 -33.03 71.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.95 -31.75 66.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 24.7 t -67.69 -47.16 80.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.106 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -63.96 -40.09 97.93 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.534 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 3.1 m -62.7 -37.29 85.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.837 0.351 . . . . 0.0 110.891 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.05 -31.7 72.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -77.53 -58.47 3.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.949 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 166.23 42.4 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.536 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -110.53 133.94 52.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.368 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 77.4 mt -87.75 150.56 48.47 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.65 93.13 0.6 Allowed 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.485 2.123 . . . . 0.0 112.329 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -117.49 176.87 16.37 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.557 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -65.29 101.43 0.56 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.814 0.34 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 76.5 129.15 0.33 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.471 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -161.53 -44.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 110.913 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -57.05 -37.32 78.78 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.544 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 2.5 m -67.24 -35.88 80.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.774 0.321 . . . . 0.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 3.1 mt -74.03 -46.06 45.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.769 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 6.1 mt -61.65 -44.98 95.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.66 -39.38 94.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 17.8 m -67.11 -46.13 75.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.068 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 26.7 m-70 -71.02 -38.8 72.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.015 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . 0.418 ' CZ ' HG22 ' A' ' 124' ' ' VAL . 85.1 t80 -68.04 -34.93 77.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.027 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.417 ' HG3' ' CD2' ' A' ' 167' ' ' TYR . 29.7 tt0 -107.41 77.73 1.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.082 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -169.13 -34.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.781 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 1.5 mt -124.54 -55.39 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . 0.409 HD12 ' CE1' ' A' ' 162' ' ' TYR . 0.6 OUTLIER -77.49 -36.48 52.66 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -178.927 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 167' ' ' TYR . . . . . 0.517 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 5.1 t80 -68.26 -55.97 11.59 Favored Pre-proline 0 C--N 1.329 -0.295 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 168' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 10.5 Cg_endo -54.84 -25.86 45.35 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.319 2.013 . . . . 0.0 112.389 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 169' ' ' TYR . . . . . 0.416 ' CD1' ' HG ' ' A' ' 94' ' ' LEU . 88.4 t80 -59.04 -53.16 61.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.821 0.344 . . . . 0.0 110.679 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.07 -50.18 75.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.821 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -58.94 -33.94 71.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -57.35 -41.93 81.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.938 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -85.08 -40.55 16.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.056 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 2.5 m -97.85 31.39 2.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.979 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.404 -1.22 . . . . 0.0 112.584 -179.964 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 18.7 m . . . . . 0 N--CA 1.458 -0.045 0 CA-C-O 120.88 0.372 . . . . 0.0 111.262 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -50.04 70.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.45 -40.4 96.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -57.84 -42.53 84.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -59.8 -42.05 92.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.096 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 31.4 mt -66.81 -40.3 88.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -61.06 -42.45 98.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -62.82 -43.24 99.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.956 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.91 -38.9 83.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.2 -43.96 80.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.213 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -64.91 -43.16 93.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -60.19 -49.01 79.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.054 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 29.5 m95 -65.74 -38.42 89.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.037 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -55.85 -43.16 76.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.036 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.3 mt -59.03 -28.54 66.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.702 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -78.95 -45.3 20.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.837 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.91 -16.36 1.2 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.795 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.03 -165.48 1.36 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.76 0.314 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 9.6 t -160.99 121.73 2.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.826 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.4 118.53 8.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.05 109.96 12.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.2 mp -69.29 111.63 9.26 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.205 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -76.92 165.62 28.15 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.455 2.104 . . . . 0.0 112.458 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 t -114.17 105.89 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.038 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.4 t -111.42 136.5 47.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.319 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 57.91 37.1 26.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.056 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.59 29.62 18.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.846 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.31 156.65 42.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.804 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 6.3 mt -71.71 140.53 18.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.041 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.8 tt -92.51 100.47 13.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -60.24 137.16 58.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 21.1 mt -102.07 -47.96 4.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -60.46 -51.31 70.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.79 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.91 -45.31 95.15 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.241 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 13.6 tp -58.53 -33.02 69.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.053 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.3 t -67.99 -41.54 82.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.982 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -68.03 -43.04 79.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.035 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 10.7 mt -58.76 -49.12 83.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.303 -179.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.427 HG21 ' CZ ' ' A' ' 162' ' ' TYR . 20.1 t -59.34 -50.05 81.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.207 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.28 -43.99 83.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.278 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 51.5 p -56.85 -27.03 59.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.148 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -83.15 -26.26 31.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.832 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 155.52 -23.73 0.57 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.629 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 141.28 -56.87 0.59 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.47 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -179.24 -57.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.762 0.315 . . . . 0.0 110.815 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -60.1 -36.26 77.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.08 -39.3 89.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.737 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 15.8 t -66.99 -40.08 84.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.059 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.3 m -69.75 -43.69 71.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -61.79 -37.97 86.34 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -89.8 -17.3 28.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 67.4 39.34 2.96 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.802 0.335 . . . . 0.0 110.851 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 3.4 mmmt -96.04 19.56 11.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.128 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.411 ' CD1' ' HD2' ' A' ' 159' ' ' LYS . 63.3 m95 -67.1 -36.87 82.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.814 0.34 . . . . 0.0 110.881 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.08 -36.4 83.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.965 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.53 -38.5 91.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.769 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 32.4 t -60.37 -48.63 87.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.061 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -60.65 -36.21 91.11 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.432 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 12.7 m -63.17 -35.81 81.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.329 . . . . 0.0 110.976 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.93 -34.1 73.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.939 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 2.8 mt -72.28 -69.45 0.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.744 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 158.41 41.13 0.02 OUTLIER Glycine 0 N--CA 1.453 -0.196 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.49 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . 0.437 ' CE2' HD21 ' A' ' 158' ' ' LEU . 8.2 m-85 -112.2 113.72 26.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.703 0.287 . . . . 0.0 110.924 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 37.7 mt -59.76 117.76 25.86 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.823 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -55.94 -166.43 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.504 2.136 . . . . 0.0 112.289 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 134.85 -108.86 0.73 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.437 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -124.53 103.6 8.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.765 0.316 . . . . 0.0 110.868 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 102.37 -132.5 11.02 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.492 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 9.5 m 69.34 -63.62 0.37 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.765 0.317 . . . . 0.0 111.227 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -56.9 -34.01 64.63 Favored Glycine 0 C--N 1.329 0.168 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.54 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 39.8 m -65.39 -40.68 93.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.908 0.385 . . . . 0.0 110.77 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 2.3 mt -72.39 -32.12 66.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.437 HD21 ' CE2' ' A' ' 148' ' ' TYR . 23.4 mt -62.41 -44.87 95.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.931 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . 0.411 ' HD2' ' CD1' ' A' ' 139' ' ' TRP . 2.1 mtpt -60.97 -47.48 86.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 40.1 m -67.11 -46.01 75.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.977 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -64.8 -38.01 89.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.967 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . 0.448 ' CE1' ' CD1' ' A' ' 166' ' ' LEU . 80.2 t80 -70.03 -49.13 54.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.966 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -95.12 72.88 3.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 -164.93 -35.33 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.566 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 3.3 mt -121.76 -63.8 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . 0.448 ' CD1' ' CE1' ' A' ' 162' ' ' TYR . 3.8 pp -71.03 -47.09 60.6 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -178.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 167' ' ' TYR . . . . . 0.496 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 2.0 t80 -56.11 -56.06 35.03 Favored Pre-proline 0 C--N 1.329 -0.32 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -179.302 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 168' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 18.5 Cg_endo -59.57 -25.99 80.61 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.279 1.986 . . . . 0.0 112.607 -179.684 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -57.37 -53.18 61.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.885 0.374 . . . . 0.0 110.877 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.34 -50.25 74.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.01 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 2.3 mt -59.88 -35.21 74.35 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.108 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -57.25 -40.89 78.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.056 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -84.98 -39.68 17.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.037 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 8.6 m -98.04 30.76 2.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.03 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.342 -1.254 . . . . 0.0 112.47 -179.916 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 31.5 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.753 0.311 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.87 -42.9 89.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 15.5 mt -61.66 -44.82 96.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.87 -42.08 83.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.005 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -58.98 -42.65 90.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.95 -32.89 74.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.68 -40.91 96.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -61.03 -43.6 98.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.419 HD12 ' CD2' ' A' ' 169' ' ' TYR . 0.3 OUTLIER -68.08 -41.28 82.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.09 -36.09 79.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.246 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 16.0 mmtm -75.04 -37.49 61.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.041 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -66.16 -48.98 68.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.103 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 43.9 m95 -64.91 -34.43 78.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.988 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.75 -45.08 78.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.889 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.2 mt -61.25 -27.95 68.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.647 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -79.61 -39.59 31.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.67 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 134.63 -6.64 4.53 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.844 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.4 m -92.35 -169.65 2.29 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.932 0.396 . . . . 0.0 110.927 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.5 t -150.87 117.02 5.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.986 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -65.78 114.95 5.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.02 110.07 12.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 6.6 pt -73.93 110.85 10.18 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.084 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.41 149.28 68.93 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.46 2.107 . . . . 0.0 112.272 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.9 t -97.46 116.4 39.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.092 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 20.2 t -117.67 136.33 55.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.192 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 59.87 35.19 21.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 59.82 29.8 19.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.824 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.57 165.4 33.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 27.7 mt -74.95 138.47 20.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.21 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 8.1 tt -91.63 117.54 29.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.958 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -65.48 136.76 56.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 34.9 mt -109.24 -46.6 3.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.968 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -59.76 -51.19 70.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.083 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -59.9 -47.11 87.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.337 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 40.6 tp -58.5 -34.61 71.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 37.7 t -63.67 -44.64 93.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.112 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -68.05 -40.86 82.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.142 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 13.8 mt -58.8 -44.97 91.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.447 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.7 t -60.37 -50.36 80.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.314 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.71 -47.05 87.01 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.44 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.2 p -56.89 -25.31 56.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.323 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -82.73 -25.93 32.42 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 157.91 -25.55 0.43 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.522 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 140.71 -60.22 0.56 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.497 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.408 ' CZ ' ' HD3' ' A' ' 159' ' ' LYS . 16.6 t80 -176.8 -58.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.891 0.377 . . . . 0.0 111.037 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -59.52 -41.63 90.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.06 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.4 ttm -60.92 -36.35 79.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.999 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.06 -44.76 87.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.202 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.7 m -70.04 -34.03 72.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 3.3 mmmt -61.75 -37.02 82.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.081 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -104.32 4.29 33.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.473 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 5.6 tptm 57.0 31.79 20.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.784 0.326 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -69.28 -12.39 61.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.397 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -53.16 -34.42 56.78 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.74 0.305 . . . . 0.0 111.099 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 58.3 m -65.21 -37.51 87.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 10.9 mtmm -70.17 -32.51 70.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.813 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.46 -46.73 92.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.13 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -63.57 -40.92 99.2 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.494 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 4.6 m -59.92 -35.89 75.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.777 0.322 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 14.3 mtt180 -71.29 -33.98 70.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.866 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.84 -67.47 0.64 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 171.01 40.09 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.42 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -112.98 159.74 18.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.784 0.326 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 18.5 mt -111.96 151.63 43.68 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.934 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.35 89.86 0.58 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.526 2.151 . . . . 0.0 112.241 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -103.27 -148.9 20.51 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.452 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 46.7 mmtt -90.4 -45.08 9.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.801 0.334 . . . . 0.0 110.86 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -141.44 100.12 0.26 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.546 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 4.3 m -137.88 -49.44 0.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.856 0.36 . . . . 0.0 110.925 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -59.27 -33.93 77.81 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.5 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 1.5 m -65.62 -40.21 92.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.812 0.339 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 2.2 mp -68.47 -39.3 81.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.934 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 24.4 mt -59.99 -39.5 85.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . 0.408 ' HD3' ' CZ ' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -70.16 -40.85 74.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 47.9 m -66.93 -46.03 76.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -67.8 -44.64 76.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . 0.413 ' CD1' HD23 ' A' ' 166' ' ' LEU . 73.1 t80 -59.86 -43.63 94.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -99.77 73.83 1.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -167.97 -39.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.335 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 1.5 mt -126.07 -38.06 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.696 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . 0.413 HD23 ' CD1' ' A' ' 162' ' ' TYR . 11.7 tp -85.92 -59.94 2.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.83 0.348 . . . . 0.0 111.504 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 167' ' ' TYR . . . . . 0.473 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 1.7 t80 -47.57 -46.91 60.6 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.871 -179.548 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 168' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 167' ' ' TYR . 52.2 Cg_exo -54.6 -31.5 70.5 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.231 1.954 . . . . 0.0 112.488 -179.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 169' ' ' TYR . . . . . 0.419 ' CD2' HD12 ' A' ' 94' ' ' LEU . 21.2 t80 -57.01 -53.17 61.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.084 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.99 -50.33 73.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.63 -33.96 74.85 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.036 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -58.04 -36.27 72.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.083 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -85.11 -43.74 13.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.027 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 6.2 m -97.1 30.85 2.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.447 -1.196 . . . . 0.0 112.45 179.997 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 28.6 m . . . . . 0 N--CA 1.456 -0.135 0 CA-C-O 120.863 0.363 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 -66.65 -48.46 69.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.74 -42.2 92.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.769 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.96 -38.66 76.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.02 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.42 ' CD2' ' CD2' ' A' ' 118' ' ' TYR . 47.9 t80 -60.52 -41.99 95.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.941 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.66 -33.12 75.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.803 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -60.96 -43.66 98.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.87 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -68.35 -47.36 67.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.789 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.454 ' CD1' ' CD2' ' A' ' 169' ' ' TYR . 5.3 tt -62.56 -38.95 92.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.939 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.65 -46.08 66.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.43 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.98 -35.42 72.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.207 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -67.04 -49.05 66.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.154 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 36.3 m95 -66.05 -36.23 82.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.809 0.338 . . . . 0.0 111.001 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.65 -40.55 72.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.976 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.7 mt -59.04 -30.72 68.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.636 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -76.0 -44.39 39.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.693 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 146.02 -15.39 1.73 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.719 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.78 -161.77 0.89 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.691 0.281 . . . . 0.0 110.794 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.69 141.14 17.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.853 0.359 . . . . 0.0 110.788 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.91 124.16 20.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.653 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.12 132.48 48.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.898 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.3 mp -114.08 81.75 6.5 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.212 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.67 149.2 32.99 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.446 2.097 . . . . 0.0 112.311 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 t -96.4 119.11 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.101 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 20.6 t -106.92 125.21 62.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.193 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 60.0 38.14 20.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.804 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 2.8 mtt85 60.15 31.58 20.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 18.1 mmtt -147.56 143.95 28.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 23.3 mt -78.34 123.12 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.042 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 45.9 tp -81.89 136.21 35.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.821 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -66.55 158.2 30.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 25.7 mt -114.38 -66.23 1.11 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.969 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.42 ' CD2' ' CD2' ' A' ' 90' ' ' PHE . 1.1 t80 -56.1 -51.01 69.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -58.39 -37.25 74.91 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.158 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 32.3 tp -65.06 -48.97 71.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.887 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 29.4 t -59.09 -34.99 72.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.966 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -66.84 -45.54 77.9 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.045 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 7.8 mt -58.81 -39.23 76.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.183 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.41 HG23 ' CH2' ' A' ' 139' ' ' TRP . 30.6 t -60.24 -50.2 81.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.143 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -56.9 -44.82 82.74 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.267 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 52.2 p -56.84 -21.9 32.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.445 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 24.1 mmtt -86.23 -31.43 21.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.856 0.36 . . . . 0.0 110.697 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 143.88 40.57 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.63 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 86.51 -66.98 3.54 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.761 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -176.27 -53.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.718 0.294 . . . . 0.0 111.056 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -56.79 -42.38 79.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.178 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 10.6 mmt -60.96 -33.71 73.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.416 HG11 ' CD1' ' A' ' 139' ' ' TRP . 21.1 t -61.4 -47.7 92.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.084 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 7.2 m -68.42 -45.2 73.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.797 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.72 -31.94 72.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -93.65 -17.26 23.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.175 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp 67.88 36.51 3.43 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.824 0.345 . . . . 0.0 110.816 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 13.6 mmtm -87.95 -1.75 58.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.392 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.416 ' CD1' HG11 ' A' ' 133' ' ' VAL . 71.0 m95 -59.12 -38.0 78.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.848 0.356 . . . . 0.0 110.838 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.7 m -63.98 -36.84 85.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 27.2 mttm -68.27 -32.34 72.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.941 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 21.6 t -65.75 -42.42 92.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -68.91 -41.87 80.61 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.573 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 13.9 m -60.32 -36.48 78.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.894 0.378 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.55 -31.63 71.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.849 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -67.07 -60.74 2.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.777 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 154.93 56.42 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.519 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . 0.404 ' CZ ' HD22 ' A' ' 158' ' ' LEU . 4.9 m-85 -109.23 118.89 37.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.849 0.357 . . . . 0.0 110.865 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 20.6 mt -63.7 130.29 94.29 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.831 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.16 162.02 3.17 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.491 2.127 . . . . 0.0 112.252 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 140.87 -92.58 0.18 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.504 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.88 171.86 8.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.79 0.328 . . . . 0.0 110.977 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -81.2 126.8 7.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.514 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -129.57 12.61 5.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.682 0.277 . . . . 0.0 111.314 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -74.99 -42.03 30.9 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.49 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 43.6 m -65.16 -31.76 73.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.79 0.328 . . . . 0.0 110.939 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 75.3 mt -67.11 -43.46 82.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.404 HD22 ' CZ ' ' A' ' 148' ' ' TYR . 5.0 mt -59.23 -43.38 92.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.962 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.15 -36.11 76.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 3.1 m -66.96 -45.33 78.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.007 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -66.82 -47.9 70.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -59.43 -49.01 79.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.812 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -89.79 68.65 7.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.709 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -163.63 -40.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.035 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 2.7 mp -135.29 -43.04 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.47 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.37 -60.59 2.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.348 -179.599 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 167' ' ' TYR . . . . . 0.522 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 1.9 t80 -56.56 -56.16 35.13 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.745 -179.579 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 168' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 10.8 Cg_endo -55.01 -29.52 65.28 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.254 1.969 . . . . 0.0 112.546 -179.6 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 169' ' ' TYR . . . . . 0.454 ' CD2' ' CD1' ' A' ' 94' ' ' LEU . 19.3 t80 -58.82 -53.05 62.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.912 0.387 . . . . 0.0 110.813 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.49 -50.32 74.17 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 5.9 mt -58.37 -36.87 74.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.011 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -57.98 -34.98 70.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -77.59 -44.0 29.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.971 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 44.4 m -100.5 30.43 3.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.971 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.361 -1.244 . . . . 0.0 112.448 -179.873 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 28.5 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.824 0.345 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -65.97 -40.83 91.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.0 -46.21 75.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -58.84 -43.14 90.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -61.58 -48.14 82.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.08 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 23.0 mt -59.98 -32.95 71.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.951 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.08 -46.39 89.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -64.31 -47.95 77.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.978 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.426 ' HG ' ' CG ' ' A' ' 169' ' ' TYR . 1.0 OUTLIER -67.97 -40.16 83.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.995 -179.859 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.82 -36.58 75.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.224 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -75.07 -39.06 61.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.063 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -62.11 -49.11 77.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.139 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 44.5 m95 -65.94 -35.42 80.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.951 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -55.91 -44.97 78.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.13 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 82.8 mt -60.9 -30.64 70.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.728 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -72.4 -41.59 66.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.799 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 141.63 -12.4 2.69 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.781 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.4 m -98.83 -163.34 1.03 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.725 0.262 . . . . 0.0 111.035 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.3 m -156.37 130.37 8.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.892 0.377 . . . . 0.0 110.894 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.0 tt -62.96 123.95 19.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.835 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -124.39 132.1 53.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.975 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.1 mp -101.77 92.25 2.78 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.108 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.18 169.62 14.88 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.534 2.156 . . . . 0.0 112.275 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.5 t -110.96 121.5 63.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.185 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.3 t -106.87 120.93 58.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 60.93 36.97 18.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.821 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.98 30.52 18.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.841 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 19.0 tttm -145.25 151.12 37.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.961 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 26.1 mt -74.83 125.19 34.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.33 125.83 32.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.019 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -59.67 156.23 14.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.795 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.31 -66.1 1.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.037 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -55.9 -51.2 68.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.47 -38.0 82.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.199 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 26.4 tp -62.53 -37.11 84.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.067 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 9.4 t -66.72 -38.79 87.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.072 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -67.63 -41.58 83.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 12.7 mt -58.84 -43.49 88.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.37 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 17.4 t -58.91 -50.04 80.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.713 0.292 . . . . 0.0 111.073 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.06 -46.91 82.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.406 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 38.2 p -56.79 -21.05 25.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.574 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 40.2 mmtt -88.43 -40.62 13.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.926 0.393 . . . . 0.0 110.853 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 155.55 42.72 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.504 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 82.88 -65.75 4.07 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.597 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -179.61 -57.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.823 0.344 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -56.93 -31.18 64.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.999 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 37.9 tpp -66.26 -36.82 83.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.411 HG12 ' CD2' ' A' ' 139' ' ' TRP . 18.7 t -66.97 -41.8 87.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.159 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 5.3 m -69.73 -44.44 70.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.993 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 13.5 mmtp -61.64 -37.79 85.32 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.04 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -92.8 -12.87 30.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.291 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 5.4 tttt 65.65 36.28 6.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.76 0.314 . . . . 0.0 110.802 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -81.88 -1.18 46.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.421 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.427 ' CE2' ' HG2' ' A' ' 159' ' ' LYS . 88.3 m95 -58.54 -34.88 71.5 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.845 0.355 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 68.9 m -60.62 -35.63 76.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -72.08 -33.91 68.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.6 -47.16 92.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -64.09 -39.12 96.89 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.449 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 37.4 m -59.42 -40.5 86.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.876 0.369 . . . . 0.0 110.996 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 30.3 mtt85 -62.71 -31.14 72.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 7.8 mt -79.53 -55.67 4.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.967 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 157.2 50.73 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.476 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -112.4 146.02 39.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.747 0.308 . . . . 0.0 110.968 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 8.5 mt -109.07 137.78 20.23 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.87 115.72 2.53 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.552 2.168 . . . . 0.0 112.318 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -135.86 -126.26 2.56 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.457 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -80.28 -28.87 38.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.811 0.339 . . . . 0.0 110.936 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 169.71 -87.59 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.583 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 10.0 m 72.48 4.62 5.05 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 111.574 0.212 . . . . 0.0 111.574 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -75.26 -42.08 29.39 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.514 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 18.1 m -63.88 -35.85 81.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.704 0.288 . . . . 0.0 110.934 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 3.6 mp -63.95 -46.01 86.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 79.7 mt -67.36 -40.67 85.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.957 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . 0.427 ' HG2' ' CE2' ' A' ' 139' ' ' TRP . 0.0 OUTLIER -70.38 -43.79 69.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 41.8 m -66.96 -42.25 85.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.056 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -63.89 -37.26 86.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.219 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -73.06 -41.33 64.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -99.12 73.15 1.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.018 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 1.2 ttt85 -167.81 -40.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.188 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 1.5 mp -126.58 -36.72 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.68 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.33 -62.02 1.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.348 . . . . 0.0 111.54 -179.404 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 167' ' ' TYR . . . . . 0.539 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 2.0 t80 -50.16 -55.04 27.59 Favored Pre-proline 0 C--N 1.329 -0.298 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -179.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 168' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 10.4 Cg_endo -54.67 -25.96 44.33 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.308 2.005 . . . . 0.0 112.75 -179.466 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 169' ' ' TYR . . . . . 0.426 ' CG ' ' HG ' ' A' ' 94' ' ' LEU . 25.4 t80 -60.13 -53.22 60.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.876 0.37 . . . . 0.0 110.805 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -58.58 -50.15 74.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.966 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 17.3 mt -57.81 -34.48 69.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.995 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -59.1 -38.43 79.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -84.79 -42.71 14.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.018 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 12.8 m -97.9 31.2 2.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.032 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.087 0 CA-C-O 118.324 -1.265 . . . . 0.0 112.428 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 14.0 m . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.818 0.342 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.6 mtt180 -67.08 -49.77 63.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.4 mp -65.43 -43.71 89.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.8 -43.12 85.44 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -60.28 -50.08 75.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.932 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.8 mt -60.46 -32.81 71.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.023 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.83 -47.12 87.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.992 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -64.47 -36.37 83.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.96 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.428 HD13 ' CD2' ' A' ' 169' ' ' TYR . 2.7 tp -62.71 -51.1 68.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.086 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.2 -44.74 68.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.476 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -65.07 -45.05 86.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.31 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -59.26 -49.09 79.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.147 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.418 ' CD1' HD13 ' A' ' 105' ' ' LEU . 38.1 m95 -66.04 -32.94 74.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.934 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -55.76 -37.93 69.17 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.083 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.97 -36.95 75.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -68.95 -43.03 75.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 112.02 23.5 5.52 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.53 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.7 -28.29 14.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.788 0.328 . . . . 0.0 110.956 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 7.8 m 65.3 99.73 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.849 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.418 HD13 ' CD1' ' A' ' 98' ' ' TRP . 0.3 OUTLIER -68.0 122.75 18.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.064 -179.892 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -128.03 109.87 11.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.704 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 2.6 mp -57.94 108.79 1.4 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.318 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -71.98 142.21 38.17 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.363 2.042 . . . . 0.0 112.349 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 t -93.67 128.94 44.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.98 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 20.3 t -129.1 127.97 66.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.13 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 59.58 35.57 22.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 25.0 mtt180 61.27 31.09 19.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.65 153.91 38.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.883 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 31.0 mm -71.66 133.99 30.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.064 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.7 tt -88.56 108.56 19.48 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.959 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -59.67 145.77 43.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.857 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 90.3 mt -106.66 -57.18 2.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.928 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -54.88 -51.19 66.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.991 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -58.34 -46.82 85.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.39 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 58.4 tp -64.45 -41.95 96.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.177 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.0 t -58.02 -37.73 74.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.136 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 15.5 mtpt -68.04 -43.46 78.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.16 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 54.3 mt -58.79 -43.64 88.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.491 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.452 ' CG2' ' CE2' ' A' ' 162' ' ' TYR . 21.4 t -58.19 -50.16 79.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.297 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.32 -47.09 86.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 19.3 p -57.79 -20.97 39.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.476 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 6.4 mttp -87.2 -33.48 19.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.99 0.424 . . . . 0.0 110.882 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 146.27 41.83 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.528 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 84.55 -66.03 3.96 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.744 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.423 ' CZ ' ' HD3' ' A' ' 159' ' ' LYS . 10.3 t80 -177.48 -55.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.868 0.366 . . . . 0.0 111.042 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -56.78 -31.38 64.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.097 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.9 mtp -64.35 -38.24 90.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.425 HG12 ' CD2' ' A' ' 139' ' ' TRP . 22.0 t -66.97 -43.52 89.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.88 -42.22 73.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.984 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -61.79 -30.67 70.96 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.05 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -103.75 -3.84 24.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.405 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 8.2 tttp 61.57 36.1 17.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.853 0.359 . . . . 0.0 110.755 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 15.2 mmtt -76.48 -9.86 58.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.434 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.425 ' CD2' HG12 ' A' ' 133' ' ' VAL . 86.5 m95 -53.98 -35.99 62.43 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.893 0.378 . . . . 0.0 111.003 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 19.6 m -66.94 -33.06 74.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.741 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.97 -32.36 67.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 22.9 t -61.91 -46.9 95.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.104 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -61.96 -43.64 98.9 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.58 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 58.5 m -58.94 -39.79 82.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.817 0.342 . . . . 0.0 110.962 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -72.0 -34.09 68.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.019 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.15 -29.36 67.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.973 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 114.36 20.47 5.87 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.733 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -78.39 123.13 26.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.72 0.295 . . . . 0.0 110.802 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 54.8 mt -56.67 148.84 44.55 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.018 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -69.1 136.54 35.02 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.573 2.182 . . . . 0.0 112.339 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 172.43 -169.71 42.81 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.432 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -74.39 155.41 38.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.747 0.308 . . . . 0.0 110.938 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 61.82 -122.41 28.72 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.465 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 24.9 m 67.42 -70.06 0.12 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.646 0.26 . . . . 0.0 110.957 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -63.51 -36.03 92.82 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.502 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 12.2 m -67.37 -40.34 85.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.786 0.327 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 8.1 mp -70.45 -36.8 74.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 11.4 mt -62.77 -38.01 88.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.81 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . 0.423 ' HD3' ' CZ ' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -67.71 -41.77 83.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 16.5 m -67.05 -45.89 76.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 -64.08 -47.65 79.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.831 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . 0.452 ' CE2' ' CG2' ' A' ' 124' ' ' VAL . 14.6 t80 -59.28 -41.77 89.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -94.31 43.85 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.815 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.1 -42.75 1.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 1.8 mp -134.13 -44.54 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.268 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 1.8 tt -63.13 -65.36 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.51 -179.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 167' ' ' TYR . . . . . 0.545 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 3.6 t80 -55.08 -55.05 43.42 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.886 -179.403 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 168' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 10.5 Cg_endo -54.87 -25.74 44.97 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.334 2.023 . . . . 0.0 112.635 -179.355 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 169' ' ' TYR . . . . . 0.428 ' CD2' HD13 ' A' ' 94' ' ' LEU . 49.0 t80 -56.86 -53.14 61.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.895 0.378 . . . . 0.0 110.83 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -56.86 -50.14 73.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.974 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 13.4 mt -55.96 -38.63 70.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.112 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -58.71 -37.64 76.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.959 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -85.14 -42.67 14.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.982 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 58.4 m -97.72 31.02 2.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.06 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.372 -1.238 . . . . 0.0 112.541 179.883 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 30.5 m . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.78 0.324 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.6 -44.08 97.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.963 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.82 -43.64 92.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -57.94 -42.99 86.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.086 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -63.03 -43.08 99.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.8 tp -60.14 -32.85 71.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.75 -45.6 81.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.026 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -71.41 -33.25 69.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.436 ' HA ' ' CE2' ' A' ' 169' ' ' TYR . 11.6 tp -66.91 -51.07 59.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.96 -37.01 75.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.324 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp -67.08 -40.99 87.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -64.65 -49.14 72.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.147 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 64.0 m95 -65.81 -34.2 77.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.103 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -56.03 -42.38 76.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.057 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 38.3 mt -59.24 -39.0 81.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.825 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.14 -44.81 94.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.808 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 114.88 23.19 4.72 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.334 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.79 -21.1 12.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.668 0.27 . . . . 0.0 111.019 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 60.41 126.71 0.01 OUTLIER 'General case' 0 N--CA 1.456 -0.162 0 CA-C-O 121.0 0.429 . . . . 0.0 111.101 179.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 6.2 tt -83.31 132.79 35.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.999 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -123.81 132.26 53.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.746 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 18.8 mt -96.75 100.22 6.94 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.238 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -71.92 173.08 13.34 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.533 2.156 . . . . 0.0 112.356 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 t -125.0 111.64 28.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.97 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.2 t -106.91 131.16 57.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.195 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 60.72 35.42 19.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.809 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.9 33.11 21.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.808 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -156.12 163.59 39.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.942 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 4.5 mt -73.67 127.03 35.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -82.92 131.66 35.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -64.24 168.85 5.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 10.7 mt -141.3 -58.88 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -58.86 -51.29 70.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.766 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.76 -39.21 93.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.348 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 50.6 tp -63.49 -41.62 98.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.104 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.9 t -57.92 -40.43 80.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.032 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -67.97 -43.94 77.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.998 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 12.7 mt -58.85 -42.7 86.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.305 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 19.9 t -58.67 -50.09 80.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.204 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.61 -44.43 85.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.239 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 20.0 p -56.84 -27.52 60.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.183 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 24.3 mmtt -82.73 -26.97 31.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.806 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 157.64 -24.85 0.43 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.694 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 140.98 -57.94 0.58 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.421 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.425 ' HB2' ' CZ ' ' A' ' 167' ' ' TYR . 51.6 t80 -178.51 -56.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.895 0.379 . . . . 0.0 110.892 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -65.26 -39.94 93.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 9.8 tpt -60.94 -33.45 73.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.424 HG12 ' CE2' ' A' ' 139' ' ' TRP . 13.7 t -67.0 -39.86 84.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.09 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.12 -46.07 75.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.953 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -61.87 -37.97 86.55 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.0 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -85.94 -21.52 27.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.101 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 8.5 tttp 65.49 37.65 5.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.839 0.352 . . . . 0.0 110.85 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 22.5 mtpp -89.88 9.66 26.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.322 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.424 ' CE2' HG12 ' A' ' 133' ' ' VAL . 89.8 m95 -65.69 -35.25 80.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.803 0.335 . . . . 0.0 110.741 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.1 m -63.05 -34.22 77.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.774 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.85 -37.31 70.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.73 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 24.5 t -59.85 -44.04 93.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.126 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -64.29 -41.86 98.05 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 9.6 m -60.13 -35.96 76.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.774 0.321 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 20.7 mtt85 -64.44 -32.38 73.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.53 -70.65 0.41 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 163.02 42.2 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.564 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -105.85 125.12 50.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.85 0.357 . . . . 0.0 110.826 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.5 mp -69.53 142.39 91.73 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.09 168.41 0.54 Allowed 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.513 2.142 . . . . 0.0 112.223 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 158.7 -162.96 32.86 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.515 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -100.8 127.03 47.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.836 0.35 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 68.57 92.31 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.524 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 6.0 m -140.72 -56.38 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.805 0.336 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -59.0 -34.31 78.35 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.483 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 1.2 m -73.14 -31.29 64.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.756 0.312 . . . . 0.0 110.842 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -69.07 -39.93 78.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.849 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 13.1 mt -67.49 -35.49 79.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . 0.416 ' HG2' ' CZ2' ' A' ' 139' ' ' TRP . 0.1 OUTLIER -66.19 -42.95 88.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 4.3 m -66.93 -44.26 81.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 -69.47 -44.3 71.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -58.92 -48.52 81.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -91.11 62.39 4.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.827 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.21 -51.14 0.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.021 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 2.1 mp -127.22 -1.21 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.774 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -116.78 -58.91 2.02 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.83 0.348 . . . . 0.0 111.131 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 167' ' ' TYR . . . . . 0.451 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 2.7 t80 -59.82 -48.86 94.05 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.22 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 168' ' ' PRO . . . . . 0.451 ' CD ' ' N ' ' A' ' 167' ' ' TYR . 38.7 Cg_exo -60.14 -25.86 81.02 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.353 2.035 . . . . 0.0 112.36 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 169' ' ' TYR . . . . . 0.436 ' CE2' ' HA ' ' A' ' 94' ' ' LEU . 51.8 t80 -56.56 -53.28 59.45 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 120.785 0.326 . . . . 0.0 110.825 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -56.88 -50.12 73.46 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.03 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 2.1 mt -58.15 -33.88 69.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -64.66 -32.95 74.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -67.39 -44.14 79.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 1.9 m 178.56 39.5 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.81 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.376 -1.235 . . . . 0.0 112.528 -179.962 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.1 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.801 0.334 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 -61.61 -50.04 74.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.8 mp -66.57 -42.68 86.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -57.86 -41.77 83.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -58.19 -50.03 74.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.079 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.5 mp -65.14 -33.11 75.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.969 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -63.71 -39.03 93.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -66.85 -47.97 70.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.938 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 26.0 tp -57.28 -44.43 84.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.982 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.404 ' HA ' ' CB ' ' A' ' 105' ' ' LEU . . . -70.0 -37.72 75.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.462 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -74.91 -33.16 61.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.233 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -65.01 -49.55 69.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.211 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 68.4 m95 -66.43 -32.72 74.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.97 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -55.59 -43.12 75.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.912 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.38 -31.19 71.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.58 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 57.0 mm-40 -69.78 -37.87 76.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.82 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 118.42 20.09 4.42 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.483 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.2 t -100.28 -154.53 0.48 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.556 0.217 . . . . 0.0 110.689 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.4 t -154.82 94.5 1.67 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.832 0.349 . . . . 0.0 110.642 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.411 ' CD2' ' CG2' ' A' ' 165' ' ' ILE . 0.3 OUTLIER -62.95 113.6 3.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 -179.89 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.23 119.58 25.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.741 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.44 HG22 HD13 ' A' ' 107' ' ' ILE . 32.5 mt -71.02 111.71 10.85 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.185 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -78.97 162.14 26.48 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.415 2.077 . . . . 0.0 112.372 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 t -112.37 118.0 56.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.971 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.4 t -107.68 125.71 64.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.301 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 58.55 39.74 24.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.985 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 43.4 mtm-85 59.28 30.3 20.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.6 mmtm -144.66 157.66 44.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.946 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 31.0 mt -77.93 133.37 30.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.101 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 7.2 tt -94.94 128.56 41.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -77.47 153.77 33.19 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.801 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 5.6 mp -108.64 -58.32 2.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.906 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -55.5 -51.15 67.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -58.48 -45.59 88.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.316 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 35.7 tp -63.81 -38.44 91.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.161 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.9 t -59.31 -40.99 88.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.137 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 9.0 mtmp? -67.97 -40.09 83.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.186 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 27.9 mt -58.68 -42.23 84.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.471 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.426 HG21 ' CE2' ' A' ' 162' ' ' TYR . 19.1 t -59.72 -50.32 80.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.145 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.3 -44.47 94.91 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 83.7 p -56.83 -24.63 52.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.224 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.84 -23.58 33.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.864 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 149.28 -20.4 1.21 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.571 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 148.31 -63.77 0.42 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.331 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.4 ' CZ ' ' HG3' ' A' ' 163' ' ' GLU . 55.3 t80 179.36 -60.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.774 0.321 . . . . 0.0 110.762 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.95 -39.04 80.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.965 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -36.98 80.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.909 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.421 HG12 ' CD1' ' A' ' 139' ' ' TRP . 18.9 t -63.82 -41.93 94.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.136 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 6.8 m -69.91 -43.45 71.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -61.76 -36.68 81.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.959 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -89.87 -11.9 40.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.241 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 8.7 mtpt 63.51 31.87 14.57 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.831 0.348 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -79.29 -5.24 53.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.316 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.423 ' CE2' ' HG3' ' A' ' 159' ' ' LYS . 95.1 m95 -56.31 -31.97 64.18 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.725 0.298 . . . . 0.0 110.896 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 37.2 m -61.6 -39.05 89.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.818 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -71.87 -31.35 66.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.816 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 28.4 t -59.64 -45.86 93.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.1 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -68.66 -37.38 84.67 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.579 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 67.9 m -66.05 -36.03 82.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.825 0.345 . . . . 0.0 110.854 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 68.5 mtt180 -64.17 -31.51 72.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 5.7 mt -67.45 -69.21 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 155.55 55.33 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.507 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -104.67 159.32 15.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.816 0.341 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 75.1 mt -78.07 156.87 79.2 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.38 114.39 3.44 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.53 2.153 . . . . 0.0 112.208 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -136.67 -149.72 5.71 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.512 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 19.1 mtpt -105.77 -62.87 1.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.357 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -112.93 133.01 11.05 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.557 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 1.4 m -151.42 -46.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.337 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -58.48 -38.21 90.37 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.532 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 68.0 m -67.91 -31.51 71.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.793 0.33 . . . . 0.0 110.814 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 7.3 mp -70.87 -45.85 63.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 15.0 mt -63.78 -33.65 76.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . 0.423 ' HG3' ' CE2' ' A' ' 139' ' ' TRP . 0.1 OUTLIER -62.94 -40.7 98.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 45.3 m -64.49 -45.95 85.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.96 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -67.2 -45.71 76.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.948 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . 0.426 ' CE2' HG21 ' A' ' 124' ' ' VAL . 56.2 t80 -59.31 -47.22 86.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.818 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.4 ' HG3' ' CZ ' ' A' ' 130' ' ' PHE . 0.5 OUTLIER -89.81 53.94 2.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.69 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -151.66 -43.34 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.093 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.411 ' CG2' ' CD2' ' A' ' 105' ' ' LEU . 3.2 mt -127.72 -35.93 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.687 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.4 -67.56 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.656 -179.431 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 167' ' ' TYR . . . . . 0.457 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 1.7 t80 -46.03 -47.03 43.14 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.294 -0.412 . . . . 0.0 112.05 -179.24 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 168' ' ' PRO . . . . . 0.457 ' CD ' ' N ' ' A' ' 167' ' ' TYR . 51.3 Cg_exo -54.55 -36.99 90.42 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.396 2.064 . . . . 0.0 112.505 -179.532 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -56.86 -53.08 61.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.973 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -58.48 -50.26 74.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.073 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 51.5 mt -60.5 -34.86 74.68 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -58.39 -38.45 77.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.943 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -84.95 -41.98 15.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.058 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 60.1 m -97.99 30.88 2.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.047 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.293 -1.282 . . . . 0.0 112.5 179.961 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 31.3 m . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.819 0.342 . . . . 0.0 111.272 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.97 -45.41 85.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.965 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.7 mt -59.49 -46.04 89.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.96 -42.89 85.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.063 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -58.5 -44.41 89.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.009 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.93 -33.12 71.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.03 -41.74 86.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.911 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -67.17 -43.5 82.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.045 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 12.8 tp -61.16 -47.14 87.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.116 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.06 -36.67 75.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.377 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -75.03 -44.97 44.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.234 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -61.39 -49.09 78.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.054 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 40.1 m95 -66.0 -32.79 74.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.027 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.63 -40.65 72.46 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.018 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 37.6 mt -62.81 -29.58 70.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.704 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -72.9 -39.38 66.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.941 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 108.08 23.27 6.8 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.592 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.85 -30.02 7.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.698 0.285 . . . . 0.0 110.962 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.7 m 64.3 130.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.845 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.3 tt -64.03 134.31 54.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -128.08 109.97 12.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.721 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 2.1 mp -68.43 111.42 8.0 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.166 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.43 145.83 30.46 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.424 2.083 . . . . 0.0 112.382 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 t -112.06 115.25 49.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.004 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.3 t -115.41 133.95 60.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.217 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 59.14 35.4 23.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.009 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? 59.33 30.63 20.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.003 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.71 147.04 29.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 33.3 mm -69.87 130.25 34.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.99 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.4 tt -95.57 127.91 42.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -59.32 174.25 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 10.1 mt -128.66 -64.33 0.93 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.989 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -55.55 -51.03 68.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.807 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -57.7 -40.49 79.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.195 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.401 HD13 ' CE1' ' A' ' 162' ' ' TYR . 0.2 OUTLIER -69.12 -44.48 72.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.982 -179.926 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.9 t -57.93 -35.08 70.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.062 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.4 mtmp? -68.07 -44.96 75.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.951 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 41.6 mt -58.95 -41.06 82.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.204 -179.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 17.9 t -59.24 -50.23 80.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.154 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.91 -47.02 87.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.204 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 24.9 p -56.95 -22.25 36.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.449 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.45 -34.99 18.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.832 0.349 . . . . 0.0 110.987 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 150.34 43.01 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.554 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 81.49 -65.62 3.98 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.593 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.497 ' CE2' ' CZ2' ' A' ' 139' ' ' TRP . 54.4 t80 -179.06 -54.02 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.908 0.385 . . . . 0.0 110.884 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -56.8 -37.08 70.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.025 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 8.9 tpp -63.04 -33.95 76.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 27.2 t -66.97 -50.03 68.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.101 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.5 m -66.51 -34.32 77.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.978 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.76 -31.72 71.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.162 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -112.26 8.53 19.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.487 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 14.9 mttm 55.17 32.4 18.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.875 0.369 . . . . 0.0 110.975 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -68.49 -13.19 62.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.396 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.497 ' CZ2' ' CE2' ' A' ' 130' ' ' PHE . 93.5 m95 -53.81 -36.88 62.97 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.868 0.366 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 67.7 m -61.61 -38.16 86.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 8.6 mtpp -72.03 -31.97 66.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.83 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 33.4 t -62.73 -49.05 85.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -67.67 -38.26 89.83 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.555 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 14.3 m -60.19 -40.18 89.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.787 0.327 . . . . 0.0 110.934 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.46 -31.25 71.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.5 mt -69.91 -65.26 0.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.793 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 163.89 43.54 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.461 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -108.95 138.07 45.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.738 0.304 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.4 mp -85.23 148.14 49.3 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.4 120.6 7.64 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.614 2.209 . . . . 0.0 112.174 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -178.36 127.72 1.2 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.578 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 9.9 mttp -68.61 131.64 45.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.864 0.364 . . . . 0.0 110.816 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 107.5 30.24 4.16 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.487 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 9.8 m -130.03 -45.48 1.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.771 0.319 . . . . 0.0 110.968 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -57.88 -38.91 90.63 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.589 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 66.1 m -63.11 -31.65 72.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.84 0.353 . . . . 0.0 110.919 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 10.5 mp -71.1 -35.1 71.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 22.2 mt -69.95 -39.47 76.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . 0.426 ' HD2' ' CD1' ' A' ' 139' ' ' TRP . 1.3 mtpm? -67.45 -43.9 79.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.791 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 14.1 m -64.57 -46.13 84.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 57.2 m-70 -67.69 -44.27 78.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.95 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . 0.401 ' CE1' HD13 ' A' ' 120' ' ' LEU . 65.8 t80 -59.67 -48.98 79.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -87.66 68.38 9.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.884 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 18.3 mtt-85 -163.22 -44.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 2.4 mp -131.46 7.22 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.637 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 3.6 mt -120.47 -70.35 0.79 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.799 0.333 . . . . 0.0 111.117 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 167' ' ' TYR . . . . . 0.478 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 3.1 t80 -53.93 -46.67 98.48 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.513 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 168' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 167' ' ' TYR . 52.4 Cg_exo -54.74 -33.42 80.38 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.304 2.003 . . . . 0.0 112.407 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -56.85 -53.21 60.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.02 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.25 -50.25 74.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.94 0.4 . . . . 0.0 110.949 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 48.4 mt -59.96 -38.49 82.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -57.58 -34.07 68.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.066 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -84.1 -43.93 14.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 13.0 m -98.08 30.98 2.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.948 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.469 -1.184 . . . . 0.0 112.421 -179.964 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 13.4 m . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.785 0.326 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -62.45 -49.94 73.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.972 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.4 -46.12 87.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.005 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -57.8 -37.67 74.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -58.6 -45.45 89.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.8 mp -60.01 -33.03 71.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.995 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.12 -45.04 82.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.014 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -61.41 -47.86 83.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.93 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.49 -44.46 97.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.989 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.13 -45.36 67.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.389 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -69.78 -42.84 73.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.16 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -62.16 -48.96 77.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.157 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 28.7 m95 -64.39 -38.33 90.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.959 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -56.02 -40.16 73.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.047 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 96.4 mt -58.99 -30.8 68.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.747 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -75.85 -45.91 33.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.713 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.63 -15.76 1.24 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.74 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.2 t -93.65 -160.17 0.74 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.729 0.299 . . . . 0.0 110.723 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -159.92 136.93 9.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.875 0.369 . . . . 0.0 110.893 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 18.0 tp -62.99 114.15 3.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.623 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.0 tptt -113.55 132.32 55.76 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.053 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.405 ' O ' ' CG2' ' A' ' 107' ' ' ILE . 12.9 tt -116.76 80.43 10.81 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.004 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.27 165.81 8.44 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.696 2.264 . . . . 0.0 112.275 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.8 t -110.68 113.81 45.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.897 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 22.0 t -107.21 129.71 60.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.336 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 59.73 37.7 22.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.065 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.07 30.5 19.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.879 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.0 tttm -142.6 145.4 33.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 4.5 mt -79.23 139.75 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.146 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -96.99 129.4 44.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.018 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -83.91 175.09 9.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -124.69 -60.22 1.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.084 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -55.61 -51.06 68.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.968 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.03 -44.52 96.54 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.378 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 57.9 tp -61.6 -46.21 90.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.058 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 17.1 t -57.91 -35.0 70.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 14.4 mttp -66.56 -43.61 84.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.087 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 67.9 mt -58.85 -47.33 89.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.202 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.7 t -58.91 -50.15 80.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.21 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.51 -47.1 82.88 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.317 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.68 -26.13 55.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.168 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.36 -27.03 29.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.902 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 158.1 -25.24 0.41 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.554 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 137.81 -55.44 0.68 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.434 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -178.49 -61.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.851 0.357 . . . . 0.0 110.904 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -61.51 -39.64 91.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.967 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.97 -35.98 78.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.784 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 20.1 t -67.02 -43.38 89.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.195 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 7.5 m -63.86 -46.06 86.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 3.5 mtmm -61.78 -37.84 85.81 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -86.36 -15.17 41.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.286 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 2.6 mttm 65.13 37.25 6.75 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.883 0.373 . . . . 0.0 110.852 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -90.78 11.05 23.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.264 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 62.7 m95 -67.09 -37.22 83.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.829 0.347 . . . . 0.0 110.836 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.24 -35.94 81.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -67.59 -35.84 79.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.74 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 25.3 t -58.92 -47.95 88.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.085 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -68.87 -33.77 75.85 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.533 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 32.2 m -59.45 -36.11 75.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.93 0.395 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -67.63 -31.96 72.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 30.1 mt -72.2 -66.06 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 153.26 56.43 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.422 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -111.18 145.15 39.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.81 0.338 . . . . 0.0 110.915 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 12.6 mt -88.92 154.03 49.73 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.948 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.34 150.75 84.41 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.601 2.201 . . . . 0.0 112.268 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 169.26 -165.16 38.66 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.576 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 18.5 mttm -88.81 88.11 7.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.754 0.311 . . . . 0.0 110.946 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 133.24 -117.23 1.88 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.501 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 68.9 m 65.9 -72.91 0.07 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.702 0.287 . . . . 0.0 111.049 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -62.22 -39.29 97.5 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.444 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 10.4 m -68.71 -37.68 79.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.822 0.344 . . . . 0.0 110.83 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 22.6 mt -66.91 -42.69 84.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 6.9 mt -61.31 -38.86 88.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.8 -42.72 99.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.793 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 31.1 m -67.11 -44.37 80.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -63.92 -41.6 97.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.736 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . 0.492 ' CE2' ' CD1' ' A' ' 167' ' ' TYR . 37.5 t80 -60.03 -49.06 79.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.794 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -94.25 71.72 3.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.639 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.25 -42.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 1.7 mp -131.44 -42.62 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.782 0.325 . . . . 0.0 111.727 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . 0.423 HD22 ' CD1' ' A' ' 162' ' ' TYR . 37.0 tp -77.41 -73.35 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.764 -179.27 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 167' ' ' TYR . . . . . 0.557 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 1.4 t80 -43.89 -54.39 11.05 Favored Pre-proline 0 CA--C 1.534 0.34 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -179.264 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 168' ' ' PRO . . . . . 0.557 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 10.5 Cg_endo -54.68 -25.67 43.09 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.329 2.02 . . . . 0.0 112.709 -179.578 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -56.79 -53.16 61.08 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.825 0.345 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -57.61 -49.99 74.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.2 mt -54.95 -37.31 66.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.204 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -58.8 -39.75 82.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -84.7 -42.0 15.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.949 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 21.8 m -98.22 31.1 2.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.009 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.354 -1.248 . . . . 0.0 112.432 179.99 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 9.6 m . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.841 0.353 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 50.0 ttt-85 -66.97 -45.04 78.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.9 mp -64.51 -40.12 95.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.828 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -57.73 -43.17 85.11 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.07 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -58.73 -47.89 83.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.33 -33.02 71.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.11 -46.94 84.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.058 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -63.31 -44.96 93.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 50.2 tp -62.68 -48.12 80.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.959 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.11 -43.09 71.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.28 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -64.86 -44.88 88.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.208 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -58.7 -49.17 78.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.164 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 39.2 m95 -65.94 -34.29 77.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.957 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.83 -44.2 77.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.083 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.4 mp -59.36 -31.99 69.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.95 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -69.41 -41.15 76.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 109.85 24.18 5.89 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.524 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.2 m -99.17 -29.48 12.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.774 0.321 . . . . 0.0 110.968 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 10.3 m 66.16 100.41 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.848 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.22 126.87 30.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.068 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 34.0 mtpt -127.88 109.99 12.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.707 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 36.5 mm -62.35 110.72 3.61 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.074 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -80.02 179.4 6.25 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.449 2.099 . . . . 0.0 112.365 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 29.9 t -125.04 149.04 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.889 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 13.3 t -128.22 112.06 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.839 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 74.03 -49.41 0.68 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.156 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 179.89 -26.59 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.484 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.24 171.85 7.24 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.873 0.368 . . . . 0.0 111.004 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 3.2 mp -91.08 133.82 31.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.035 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.5 tt -74.77 128.84 36.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -58.8 174.45 0.34 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.804 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.2 mp -133.53 -68.67 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.06 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -59.09 -51.21 71.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.965 0.412 . . . . 0.0 110.674 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.96 -30.69 71.69 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.307 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.11 -49.01 60.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.134 -179.723 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 44.9 t -60.52 -34.86 74.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.122 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 3.3 mmtm -64.26 -46.59 83.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 26.8 mt -58.84 -48.89 84.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.46 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 17.0 t -59.05 -50.18 80.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.813 0.34 . . . . 0.0 111.213 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.56 -43.68 93.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.306 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 58.1 p -56.79 -26.82 58.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -83.78 -25.11 30.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.919 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 154.57 -24.32 0.65 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.567 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 140.98 -56.62 0.6 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.459 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.409 ' CZ ' ' HD3' ' A' ' 159' ' ' LYS . 37.0 t80 -179.78 -56.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.795 0.331 . . . . 0.0 110.837 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -60.47 -39.74 88.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.3 tpp -60.89 -35.3 76.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.409 HG11 ' CD2' ' A' ' 139' ' ' TRP . 26.1 t -66.79 -42.53 89.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.006 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 6.8 m -65.27 -37.98 88.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 4.8 mmtp -61.73 -38.15 86.85 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.96 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -92.47 -18.25 23.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.078 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.17 38.37 3.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.82 0.343 . . . . 0.0 110.868 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -92.72 12.6 22.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.202 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.409 ' CD2' HG11 ' A' ' 133' ' ' VAL . 68.4 m95 -67.15 -35.09 78.95 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.802 0.334 . . . . 0.0 110.738 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 9.2 m -65.85 -34.56 78.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 13.0 mtpt -71.1 -33.71 70.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.823 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 24.8 t -61.68 -49.08 85.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.0 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -67.78 -42.9 85.87 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.439 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 14.9 m -60.17 -36.04 76.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.783 0.325 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.46 -34.1 76.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 6.2 mp -68.51 -49.14 61.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 149.43 50.14 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.361 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -105.6 136.65 44.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.84 154.49 85.7 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -72.29 103.92 1.6 Allowed 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.56 2.174 . . . . 0.0 112.371 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -138.65 -168.24 11.21 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.497 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -85.92 -74.54 0.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.753 0.311 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -82.53 123.2 5.99 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.485 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 1.1 m -161.44 -44.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.836 0.35 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -59.18 -36.08 87.14 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.477 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 6.3 m -67.75 -35.99 79.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.786 0.327 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 4.3 mt -64.93 -41.0 95.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 5.0 mt -71.78 -44.46 63.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.923 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . 0.409 ' HD3' ' CZ ' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -61.62 -42.02 98.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.882 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 50.7 m -66.85 -46.06 76.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 36.5 m-70 -65.86 -48.07 72.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -60.04 -49.05 79.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -92.53 62.99 4.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.799 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.58 -44.07 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.025 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 2.4 mp -130.02 -42.66 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.343 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.34 -67.08 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.341 -179.635 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 167' ' ' TYR . . . . . 0.569 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 3.0 t80 -45.92 -52.91 23.5 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.299 -0.409 . . . . 0.0 112.071 -179.571 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 168' ' ' PRO . . . . . 0.569 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 10.4 Cg_endo -54.61 -25.8 43.09 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.318 2.012 . . . . 0.0 112.63 -179.506 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -56.87 -53.12 61.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.875 0.369 . . . . 0.0 110.801 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.18 -50.03 75.57 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.791 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 3.0 mt -56.41 -36.16 68.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -59.14 -38.08 78.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.805 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -81.35 -43.99 18.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.958 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 7.9 m -98.05 30.57 3.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.975 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.374 -1.237 . . . . 0.0 112.591 -179.997 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.235 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.44 102.11 1.23 Allowed 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.63 2.22 . . . . 0.0 112.287 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.3 mp -81.26 85.01 6.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -82.16 -101.51 0.43 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.543 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 50.9 m -129.54 31.34 4.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.884 0.373 . . . . 0.0 110.929 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.8 mtp85 -72.34 -51.07 22.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 18.2 m -62.98 -36.18 74.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 73.5 mtt180 -59.71 -46.81 87.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 15.5 mt -65.93 -45.57 81.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.9 -42.97 85.8 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.009 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -62.43 -48.8 78.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.919 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 16.9 mt -60.03 -32.95 71.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -61.08 -39.6 90.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.985 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -69.98 -45.62 66.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.968 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.412 HD11 ' CG ' ' A' ' 169' ' ' TYR . 28.7 tp -66.1 -43.06 88.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.74 -37.84 79.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.224 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.05 -44.32 48.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.121 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -60.31 -49.32 78.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.039 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 36.9 m95 -66.28 -35.0 79.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.977 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -55.83 -37.72 69.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.101 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 69.7 mt -59.25 -31.63 69.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.812 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -75.59 -44.73 41.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.817 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 113.75 22.9 5.21 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.526 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.79 -26.08 15.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.784 0.326 . . . . 0.0 111.064 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 31.6 m 64.41 109.78 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.3 132.61 50.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.032 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -128.03 132.13 49.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.3 pt -98.81 98.71 6.53 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.188 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -68.63 144.79 61.57 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.531 2.154 . . . . 0.0 112.274 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.5 t -99.62 133.33 42.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.154 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.9 t -129.11 128.81 67.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.192 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 60.11 38.67 20.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 60.11 30.18 19.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.805 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.5 mtmm -144.27 167.69 21.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 4.2 mt -81.76 141.38 15.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.7 117.81 23.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.961 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -59.12 162.85 4.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.795 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -139.68 -58.42 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -57.59 -51.28 70.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.866 0.365 . . . . 0.0 110.717 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -66.25 -42.54 88.41 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.174 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 18.9 tp -60.26 -38.05 82.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.082 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 13.4 t -66.73 -39.89 88.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.035 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -67.97 -43.94 77.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.073 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 8.4 mt -58.8 -40.65 80.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.264 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.415 HG23 ' CE2' ' A' ' 162' ' ' TYR . 22.0 t -62.27 -50.23 80.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.167 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.38 -47.09 86.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 50.7 p -57.06 -21.53 32.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.345 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.17 -27.91 24.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.879 0.371 . . . . 0.0 110.943 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 138.53 41.18 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.451 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 86.15 -67.45 3.51 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.509 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -177.82 -53.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.879 0.371 . . . . 0.0 111.004 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -56.97 -39.33 74.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.073 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.95 -32.13 71.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.414 HG13 ' CD2' ' A' ' 139' ' ' TRP . 14.0 t -67.12 -45.55 86.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.077 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 3.3 m -70.01 -39.53 75.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 24.0 mtmm -61.72 -37.84 85.67 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.015 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -95.16 -14.9 23.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.153 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? 67.2 38.91 3.22 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.847 0.356 . . . . 0.0 110.846 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -92.57 13.89 18.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.278 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.415 ' CD2' ' HG3' ' A' ' 159' ' ' LYS . 63.7 m95 -67.14 -32.44 73.56 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.831 0.348 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.5 m -60.31 -40.47 90.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.09 -31.54 72.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 22.0 t -63.15 -49.11 84.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.063 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -68.98 -39.88 84.64 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.561 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 2.7 m -60.27 -39.46 86.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 111.027 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -61.97 -31.94 72.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 89.5 mt -67.84 -52.89 31.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 140.51 44.34 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.49 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -106.42 134.84 48.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.869 0.366 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.4 mt -75.95 144.87 76.66 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.35 89.21 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.474 2.116 . . . . 0.0 112.28 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -103.88 -151.84 22.37 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.542 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 14.6 mttm -61.55 -72.06 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.799 0.333 . . . . 0.0 110.856 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -164.06 72.85 0.18 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.641 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 20.5 m -65.84 -23.69 66.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.728 0.299 . . . . 0.0 111.093 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -56.95 -37.01 76.24 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.605 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 2.1 m -66.55 -36.19 82.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 110.835 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 6.4 mp -72.95 -38.39 66.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.791 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 66.4 mt -63.37 -44.61 94.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . 0.415 ' HG3' ' CD2' ' A' ' 139' ' ' TRP . 0.0 OUTLIER -60.95 -47.99 83.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.827 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 8.9 m -67.03 -42.1 85.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -63.95 -47.82 78.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . 0.415 ' CE2' HG23 ' A' ' 124' ' ' VAL . 24.5 t80 -66.99 -46.92 73.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -88.36 69.68 9.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -171.46 -36.84 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.349 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 2.0 mp -126.48 -48.28 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.642 0.258 . . . . 0.0 111.608 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 11.2 tp -78.24 -51.87 9.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.551 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . 0.526 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 2.6 t80 -54.84 -55.85 33.98 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.667 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 10.8 Cg_endo -54.79 -25.84 44.77 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.422 2.081 . . . . 0.0 112.667 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . 0.412 ' CG ' HD11 ' A' ' 94' ' ' LEU . 41.5 t80 -56.89 -53.12 61.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.856 0.36 . . . . 0.0 110.883 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.74 -50.12 74.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.965 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 53.9 mt -56.26 -36.93 69.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.053 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -58.14 -40.67 81.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.953 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -85.15 -40.87 16.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 9.2 m -97.84 30.86 2.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.031 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.432 -1.204 . . . . 0.0 112.487 -179.928 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.294 0 N-CA-C 112.446 -0.261 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.37 107.46 2.15 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.527 2.151 . . . . 0.0 112.226 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.5 mt -84.65 114.72 22.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.97 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 142.99 -34.18 1.79 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.571 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.43 87.36 2.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.786 0.327 . . . . 0.0 110.975 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.441 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 5.1 mpt_? -72.32 -39.55 68.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 11.7 m -69.36 -35.06 65.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.311 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -66.97 -50.18 63.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.769 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 3.5 pp -61.01 -46.13 92.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.878 0.37 . . . . 0.0 111.024 -179.562 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.423 ' N ' ' CD1' ' A' ' 88' ' ' LEU . 22.0 m-20 -57.69 -43.09 84.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.045 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -68.07 -41.88 81.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.727 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.72 -33.98 72.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.924 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.1 -41.08 86.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -60.95 -48.13 83.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.213 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.419 HD11 ' CD2' ' A' ' 169' ' ' TYR . 0.7 OUTLIER -66.08 -41.05 91.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.085 -179.618 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.08 -44.07 69.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.468 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.31 -34.02 65.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.298 -179.562 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -66.27 -49.0 68.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.276 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 25.9 m95 -66.05 -38.78 89.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.183 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -55.96 -42.52 76.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.108 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.5 mt -58.95 -31.75 68.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.648 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -73.86 -48.36 31.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.537 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.94 -13.05 1.12 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.751 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 43.6 p -94.75 -162.36 0.94 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.773 0.32 . . . . 0.0 110.849 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.3 t -153.45 144.71 23.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.783 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.4 tt -78.42 126.86 31.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.855 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -128.01 132.31 49.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.7 mp -113.89 82.35 6.67 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.243 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.403 ' HG2' ' CE1' ' A' ' 161' ' ' HIS . 50.8 Cg_exo -53.4 179.49 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.623 2.215 . . . . 0.0 112.294 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 29.3 t -125.04 113.11 34.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.016 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.4 t -111.35 138.05 41.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.206 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 61.65 35.93 16.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.017 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 58.56 30.35 19.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -151.48 165.34 34.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.816 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 28.6 mt -78.16 141.3 15.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.101 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.2 tt -87.43 131.95 34.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.01 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -69.46 165.57 20.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.42 -67.35 0.47 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.029 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -56.74 -51.28 69.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.29 -33.21 74.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.206 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 45.1 tp -68.71 -43.03 76.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.973 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 20.6 t -58.01 -36.99 73.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.033 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.1 mmtm -68.21 -42.79 79.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.083 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 13.7 mt -58.85 -44.12 89.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.359 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 18.6 t -59.67 -50.18 80.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.859 0.361 . . . . 0.0 111.131 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.86 -42.82 98.61 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.31 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 42.0 p -56.77 -25.4 55.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.206 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -84.08 -25.08 30.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 151.46 -21.37 0.94 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.669 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 145.89 -57.91 0.51 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.515 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.402 ' CE2' ' OE1' ' A' ' 163' ' ' GLU . 56.3 t80 -178.09 -58.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.836 0.35 . . . . 0.0 110.724 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -59.64 -34.25 72.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.956 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -39.24 88.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.413 HG12 ' CD2' ' A' ' 139' ' ' TRP . 24.1 t -66.81 -44.81 88.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 3.8 m -70.0 -44.39 69.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.962 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 15.3 mmtt -61.69 -37.89 85.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.993 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -92.13 -13.37 30.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.315 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.19 34.73 4.82 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.817 0.341 . . . . 0.0 110.792 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.87 0.17 45.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.368 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.413 ' CD2' HG12 ' A' ' 133' ' ' VAL . 81.3 m95 -58.89 -32.41 69.48 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.839 0.352 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.9 m -61.81 -41.38 97.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -63.35 -32.16 73.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.927 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 29.3 t -62.42 -48.38 88.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -68.05 -33.4 78.85 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.459 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 14.8 m -65.35 -37.32 86.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.787 0.327 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -31.56 71.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 2.2 tt -78.56 -66.19 0.89 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 160.22 42.64 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.474 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -97.24 118.38 33.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.826 0.346 . . . . 0.0 110.815 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 91.1 mt -61.2 150.28 79.83 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -69.28 92.17 0.47 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.624 2.216 . . . . 0.0 112.167 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -100.41 -147.68 21.36 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.409 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -99.31 -30.16 12.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.847 0.356 . . . . 0.0 111.042 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . 0.412 ' O ' ' HB ' ' A' ' 154' ' ' THR . . . -143.36 -115.93 1.1 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.674 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' THR . . . . . 0.412 ' HB ' ' O ' ' A' ' 153' ' ' GLY . 9.8 m 78.5 -7.88 1.73 Allowed 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -75.33 -41.97 29.37 Favored Glycine 0 C--N 1.334 0.423 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.585 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 24.3 m -61.32 -39.45 90.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.819 0.342 . . . . 0.0 110.965 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 4.1 mp -63.95 -45.95 86.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 10.2 mt -65.58 -42.01 92.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.755 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? -72.11 -38.55 69.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.855 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 62.3 m -66.96 -44.4 80.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . 0.403 ' CE1' ' HG2' ' A' ' 108' ' ' PRO . 42.3 m-70 -64.01 -41.85 97.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.786 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -61.91 -49.12 77.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.804 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.402 ' OE1' ' CE2' ' A' ' 130' ' ' PHE . 50.7 tt0 -91.43 70.32 5.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.843 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -166.2 -41.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.16 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 2.4 mt -127.24 -39.42 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.667 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 62.6 mt -84.24 -53.15 5.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.587 -179.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . 0.497 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 1.4 t80 -58.64 -55.94 40.86 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.599 -179.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 17.3 Cg_endo -58.66 -27.11 82.0 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.205 1.937 . . . . 0.0 112.643 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . 0.419 ' CD2' HD11 ' A' ' 94' ' ' LEU . 20.2 t80 -56.97 -53.22 60.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.778 0.323 . . . . 0.0 110.835 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.95 -50.23 74.59 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.902 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 67.5 mt -57.98 -38.69 76.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.077 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -57.26 -35.54 69.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.993 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -77.98 -44.03 27.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 1.9 m -99.37 30.32 3.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.333 -1.259 . . . . 0.0 112.423 -179.929 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.136 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.85 -168.03 0.3 Allowed 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.659 2.24 . . . . 0.0 112.225 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.7 mp 59.78 102.84 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -169.1 -41.08 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -141.98 38.0 1.6 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.845 0.355 . . . . 0.0 110.904 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -73.76 -50.89 18.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 29.0 m -63.37 -39.45 85.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.185 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.5 ttt180 -60.19 -48.01 83.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.7 tt -66.25 -40.61 90.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.989 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -57.74 -42.62 84.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.118 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -62.44 -42.68 99.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.045 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.4 mt -60.85 -33.06 72.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -65.9 -43.72 87.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.078 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 56.5 mm-40 -65.88 -40.68 91.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.981 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.5 tt -63.01 -46.55 87.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.013 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.91 -41.39 74.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.34 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -65.03 -44.82 87.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.16 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -60.66 -49.04 79.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.09 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 40.0 m95 -66.09 -32.81 74.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.26 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -55.73 -41.59 74.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 0.0 111.092 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 29.0 mt -62.3 -30.86 71.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.82 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -70.33 -40.21 74.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 114.95 16.5 7.31 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.905 -0.665 . . . . 0.0 112.667 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.48 -22.01 10.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.699 0.285 . . . . 0.0 111.17 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 56.09 169.18 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.869 0.366 . . . . 0.0 111.054 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 62.2 tp -113.5 124.79 53.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.971 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 19.1 tptm -119.56 109.96 16.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.656 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 4.8 mt -62.02 110.14 2.95 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.243 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -75.54 126.25 9.5 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.37 2.047 . . . . 0.0 112.367 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.5 t -94.29 116.78 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.028 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 25.2 t -125.14 137.88 56.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.205 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 60.65 35.97 19.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 6.7 ttm-85 58.14 29.57 18.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 7.2 tttm -146.34 166.93 24.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.819 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 29.6 mm -85.58 140.54 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 8.9 tt -92.79 111.21 22.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -59.05 175.23 0.3 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 30.4 mt -142.85 -55.45 0.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.011 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -58.86 -51.37 70.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.97 -39.3 94.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.236 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 42.9 tp -68.83 -39.15 80.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.0 t -57.86 -39.36 77.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.084 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -68.04 -41.02 82.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 23.1 mt -58.81 -46.25 91.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.382 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.419 HG23 ' CH2' ' A' ' 139' ' ' TRP . 17.5 t -59.33 -50.28 80.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.149 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.34 -46.27 89.09 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.29 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 78.6 p -56.8 -25.67 56.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.173 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.02 -24.65 30.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.998 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 154.08 -23.46 0.69 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.679 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 139.41 -55.3 0.66 Allowed Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.343 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -178.57 -56.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.99 0.424 . . . . 0.0 110.948 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -59.47 -42.08 91.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.002 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -61.0 -34.61 75.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.794 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.412 HG11 ' CD1' ' A' ' 139' ' ' TRP . 20.2 t -66.98 -46.3 85.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.156 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 28.1 m -69.97 -35.08 74.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 8.7 mtpt -61.87 -31.13 71.37 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.048 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -104.09 -11.97 17.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.287 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 23.9 tttt 65.93 34.99 6.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.815 0.341 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 11.3 mmtm -80.58 -4.71 55.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.3 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.424 ' CD2' ' HG3' ' A' ' 159' ' ' LYS . 97.3 m95 -55.54 -37.4 67.92 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.754 0.312 . . . . 0.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.62 -41.85 99.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.794 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.71 -35.26 80.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 25.1 t -59.68 -48.45 87.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -59.2 -36.86 90.54 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 16.7 m -66.48 -38.03 86.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.846 0.355 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 22.4 mtm-85 -69.95 -33.99 72.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.45 -42.0 98.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 135.56 44.4 0.1 Allowed Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.396 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -105.12 166.17 10.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.914 0.387 . . . . 0.0 110.954 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 3.4 mt -88.04 153.57 51.84 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -68.58 145.01 62.71 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.555 2.17 . . . . 0.0 112.304 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 155.57 -171.03 33.58 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.476 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -124.91 134.17 52.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.825 0.345 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 108.14 28.18 4.78 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.466 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 1.1 m -118.23 -39.89 3.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.858 0.361 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -58.75 -39.74 94.06 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.536 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 6.4 m -61.16 -38.29 85.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.781 0.325 . . . . 0.0 110.814 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 11.1 mp -69.65 -44.23 70.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 4.0 mt -60.01 -40.12 88.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.937 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . 0.424 ' HG3' ' CD2' ' A' ' 139' ' ' TRP . 1.0 OUTLIER -67.15 -43.34 82.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 3.6 m -66.96 -46.1 75.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 48.9 m-70 -65.81 -41.58 91.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . 0.405 ' CE2' ' CD1' ' A' ' 167' ' ' TYR . 86.6 t80 -58.43 -46.88 85.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -93.13 47.85 1.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.824 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -132.83 -43.68 0.89 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.016 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 1.5 mp -129.21 -50.15 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.891 0.377 . . . . 0.0 111.409 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -63.21 -61.89 2.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.485 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . 0.498 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 2.9 t80 -53.06 -56.35 24.6 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.868 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 15.1 Cg_endo -57.7 -29.35 85.27 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.238 1.959 . . . . 0.0 112.52 -179.703 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -57.45 -53.05 62.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.767 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -56.3 -49.45 74.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.818 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 9.1 mp -54.91 -33.88 62.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.973 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -68.23 -31.4 70.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -68.55 -44.2 75.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.018 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 1.8 m 176.97 40.81 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.966 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.433 -1.204 . . . . 0.0 112.58 179.896 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.212 0 N-CA-C 112.526 -0.229 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.52 -23.75 19.68 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.481 2.121 . . . . 0.0 112.401 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.7 mt -56.91 93.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -156.0 -93.29 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.407 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.0 p -104.3 36.02 2.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.848 0.356 . . . . 0.0 110.913 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.48 -51.08 64.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 18.3 m -60.32 -36.05 66.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.177 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -58.66 -49.56 77.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.952 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.4 mp -66.94 -46.05 75.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.967 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.74 -43.16 85.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.031 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -67.24 -44.03 80.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.98 -36.7 77.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.983 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -67.07 -36.86 82.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -72.01 -39.9 68.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 19.8 tp -59.56 -48.86 80.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.989 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.91 -43.09 72.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.226 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -64.96 -41.43 95.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.1 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -66.77 -49.29 66.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.945 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 38.8 m95 -66.24 -35.57 80.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.071 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.79 -40.34 72.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.072 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 16.4 mt -64.71 -30.97 72.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -68.51 -39.38 81.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 109.79 23.84 6.04 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.58 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.3 m -106.11 -26.63 11.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.778 0.323 . . . . 0.0 111.026 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 19.4 m 64.85 107.2 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 6.6 tt -64.64 133.05 51.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.975 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.419 ' O ' ' HD3' ' A' ' 108' ' ' PRO . 33.4 mttp -128.04 132.2 49.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.808 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.5 mt -105.11 100.97 27.61 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.034 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.419 ' HD3' ' O ' ' A' ' 106' ' ' LYS . 2.9 Cg_exo -76.12 168.05 24.78 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.837 2.358 . . . . 0.0 112.269 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.9 t -125.1 117.43 49.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.756 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 15.5 t -107.03 133.15 52.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.356 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 56.65 39.58 29.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.056 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 25.2 mtm-85 56.53 26.67 11.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.965 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -138.28 139.08 38.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.792 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 13.7 mt -72.84 139.13 20.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.121 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.6 tt -101.61 110.82 22.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -59.39 175.47 0.32 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.949 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -126.18 -61.32 1.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.009 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -56.81 -51.15 70.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.947 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -56.75 -38.82 72.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.314 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.414 HD11 ' CE1' ' A' ' 162' ' ' TYR . 0.2 OUTLIER -69.0 -38.97 79.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 -179.901 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 10.3 t -58.4 -44.39 88.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.173 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -61.95 -45.53 93.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.157 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 45.3 mt -58.81 -49.05 84.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.384 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.424 HG21 ' CE1' ' A' ' 162' ' ' TYR . 20.7 t -58.88 -50.13 80.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.861 0.362 . . . . 0.0 111.311 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -58.0 -47.19 83.75 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.139 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 27.2 p -56.99 -22.26 37.06 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.398 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -87.69 -40.1 14.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.854 0.359 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 156.5 42.38 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.594 -0.813 . . . . 0.0 112.708 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 75.63 -63.28 2.69 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.749 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -177.24 -51.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.332 . . . . 0.0 111.13 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -56.74 -44.73 81.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.189 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 3.1 ttm -60.93 -32.77 72.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.878 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 21.4 t -67.01 -48.65 78.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.11 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 2.9 m -65.64 -39.69 91.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.011 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -37.91 86.18 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -93.11 -13.8 28.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.18 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt 65.94 38.3 5.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.831 0.348 . . . . 0.0 110.79 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 16.0 mtpt -89.46 9.57 25.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.297 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.4 ' CE2' ' HG2' ' A' ' 159' ' ' LYS . 88.0 m95 -65.4 -32.02 73.42 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.826 0.346 . . . . 0.0 110.756 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 6.5 m -66.55 -41.53 88.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.755 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 4.6 mtmt -65.35 -34.76 79.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.772 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 38.2 t -60.18 -45.22 96.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -68.93 -32.97 73.97 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.567 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 67.3 m -58.81 -36.32 74.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.339 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.02 -29.58 64.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.808 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.16 -66.35 0.77 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.828 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 171.84 41.54 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.509 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -115.08 134.34 55.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.833 0.349 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 34.2 mt -105.77 141.78 23.41 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.773 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.18 154.17 14.67 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.535 2.157 . . . . 0.0 112.302 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -176.05 -82.33 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.492 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.47 -38.66 3.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.889 0.376 . . . . 0.0 110.956 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 169.64 -77.72 0.1 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.473 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 9.7 m 62.93 17.58 10.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.731 0.3 . . . . 0.0 111.279 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -75.24 -42.0 29.73 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.571 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 25.5 m -65.29 -35.57 81.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.745 0.307 . . . . 0.0 110.982 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 2.7 mp -63.95 -45.05 90.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 37.3 mt -62.18 -40.46 96.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.828 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . 0.4 ' HG2' ' CE2' ' A' ' 139' ' ' TRP . 19.3 mtpt -72.01 -43.59 64.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 2.0 m -65.52 -46.08 81.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 36.6 m-70 -66.19 -43.6 86.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.769 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . 0.468 ' CE2' ' CD1' ' A' ' 167' ' ' TYR . 87.3 t80 -60.36 -49.05 79.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.707 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.405 ' HA ' ' CB ' ' A' ' 167' ' ' TYR . 22.6 tt0 -94.07 71.75 3.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.703 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.56 -39.19 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.519 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 2.7 mp -127.92 -61.63 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . 0.437 ' CD1' ' CD1' ' A' ' 162' ' ' TYR . 0.2 OUTLIER -64.53 -44.56 90.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.7 -179.242 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . 0.498 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 3.9 t80 -61.65 -57.26 25.84 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.522 -179.505 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 11.0 Cg_endo -55.09 -25.89 47.65 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.22 1.947 . . . . 0.0 112.298 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -60.33 -53.07 61.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.722 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -57.53 -50.13 74.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 89.8 mt -57.65 -34.1 68.99 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -62.92 -31.27 72.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.81 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -69.03 -44.41 72.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.551 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 7.1 m -106.73 26.75 9.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.571 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.028 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.49 -179.924 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.12 94.94 0.65 Allowed 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.542 2.161 . . . . 0.0 112.343 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.8 mt 60.29 31.24 20.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.63 -68.53 2.34 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.551 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.62 37.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.883 0.373 . . . . 0.0 110.863 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.8 mtt85 -64.61 -49.93 69.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 22.4 m -61.51 -36.91 76.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.229 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -65.25 -43.5 91.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.965 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.0 -44.01 90.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.8 -43.05 85.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.111 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -58.63 -43.25 89.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.9 mp -64.74 -34.38 78.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -67.13 -36.86 82.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.029 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -66.68 -47.69 71.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.877 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.425 HD13 ' CD2' ' A' ' 169' ' ' TYR . 3.9 tt -62.64 -42.1 99.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.13 -45.45 66.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.2 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -64.9 -36.82 85.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.022 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -67.12 -49.22 65.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.116 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 47.6 m95 -65.97 -36.58 83.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.964 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.95 -41.95 75.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.987 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 50.0 mt -59.01 -31.63 68.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.684 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.96 -44.5 54.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.693 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 145.82 -14.63 1.76 Allowed Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.723 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 14.8 p -94.04 -162.48 0.95 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.743 0.306 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -156.94 133.38 9.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.839 0.352 . . . . 0.0 110.713 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 25.9 tp -65.48 119.41 10.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -128.06 132.15 49.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.674 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 22.4 mm -105.82 101.06 30.97 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.195 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -60.18 165.38 10.8 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.494 2.129 . . . . 0.0 112.23 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 t -110.29 112.83 42.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.979 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.2 t -106.97 133.24 52.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.055 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.417 ' HG3' ' CD1' ' A' ' 148' ' ' TYR . 1.9 mm-40 59.32 35.99 23.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 59.74 35.75 22.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -150.44 153.64 36.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 32.0 mt -88.32 125.9 41.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.054 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.9 tp -90.01 143.62 26.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.955 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -78.29 174.21 11.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.785 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 5.0 mp -120.92 -55.72 1.97 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.999 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -55.9 -51.14 68.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.957 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.85 -45.91 78.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.383 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.17 -48.15 81.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 16.7 t -57.99 -36.63 72.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.081 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.93 -45.69 73.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.047 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 38.7 mt -58.92 -44.01 89.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.354 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 17.7 t -59.41 -50.18 80.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.801 0.334 . . . . 0.0 111.171 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.2 -41.32 88.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.318 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 15.5 p -56.82 -27.2 59.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.224 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.4 mptt -83.88 -25.76 29.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.973 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 153.55 -22.64 0.73 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.741 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 143.42 -56.07 0.56 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.444 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -179.67 -57.23 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.885 0.374 . . . . 0.0 110.855 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -59.93 -39.4 85.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.5 ttm -61.0 -34.03 74.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.416 HG13 ' CD2' ' A' ' 139' ' ' TRP . 21.7 t -66.99 -40.0 84.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.103 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 4.0 m -67.61 -46.07 73.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 10.4 mtpp -61.74 -38.09 86.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -85.41 -19.38 31.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.079 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 67.43 38.08 3.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.829 0.347 . . . . 0.0 110.803 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 62.8 mmtt -91.17 10.94 24.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.287 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.416 ' CD2' HG13 ' A' ' 133' ' ' VAL . 64.7 m95 -65.23 -39.58 92.94 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.841 0.353 . . . . 0.0 110.816 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 3.6 m -64.31 -36.54 84.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -67.72 -35.67 79.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.848 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 21.9 t -59.73 -42.47 88.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.049 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -67.82 -39.16 89.85 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.426 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 3.2 m -59.96 -35.96 76.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.772 0.32 . . . . 0.0 110.842 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.53 -31.27 72.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.33 -71.51 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 170.96 50.81 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.566 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . 0.417 ' CD1' ' HG3' ' A' ' 111' ' ' GLU . 23.3 m-85 -112.71 153.73 27.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.817 0.341 . . . . 0.0 110.953 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 5.4 mt -92.61 146.62 32.67 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.87 162.35 2.63 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.579 2.186 . . . . 0.0 112.265 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 144.83 -160.43 27.99 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.508 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 14.5 mtpt -105.2 128.93 53.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.787 0.327 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 106.88 -136.57 13.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.459 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 10.2 m 69.47 -63.53 0.38 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.802 0.334 . . . . 0.0 111.157 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -56.88 -33.95 64.47 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.602 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 67.8 m -60.89 -40.01 91.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.903 0.383 . . . . 0.0 110.933 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 5.2 mp -74.09 -41.47 61.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 11.3 mt -62.95 -45.11 94.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -48.09 83.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 48.0 m -67.12 -37.18 83.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 -66.83 -48.01 70.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -60.48 -49.02 79.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.838 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -88.82 54.82 3.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.796 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.03 -43.9 0.2 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.007 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 2.6 mp -132.16 -41.43 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.448 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 5.3 mp -73.51 -64.35 1.01 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.368 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . 0.543 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 1.7 t80 -51.5 -54.99 33.24 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.985 -179.447 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' PRO . . . . . 0.543 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 10.4 Cg_endo -54.72 -26.05 45.18 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.333 2.022 . . . . 0.0 112.74 -179.343 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . 0.425 ' CD2' HD13 ' A' ' 94' ' ' LEU . 17.4 t80 -57.73 -53.2 60.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.877 0.37 . . . . 0.0 110.737 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -60.19 -49.95 75.58 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.774 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 3.8 mt -54.92 -34.47 63.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.993 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -65.71 -32.11 73.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.814 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 60.2 mm-40 -64.2 -44.33 92.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.613 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 3.3 m -110.91 26.29 10.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.511 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.44 -1.2 . . . . 0.0 112.52 179.997 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.161 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.37 -167.96 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.603 2.202 . . . . 0.0 112.233 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.2 mt -87.24 106.31 17.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.963 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -120.98 -52.96 0.24 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.441 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.2 m -116.66 100.03 7.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.897 0.38 . . . . 0.0 110.826 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.89 -50.36 17.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.133 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 28.3 m -65.33 -40.58 88.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.302 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.6 mtp180 -65.83 -50.07 65.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.066 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.5 tt -61.31 -43.68 98.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.888 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -57.81 -42.78 84.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.092 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -67.11 -45.67 76.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.4 mt -59.95 -32.98 71.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -62.17 -47.09 86.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -62.49 -48.05 81.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.464 ' CD1' ' CG ' ' A' ' 169' ' ' TYR . 39.7 tp -64.14 -43.85 93.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.881 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.12 -45.4 66.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.302 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -69.26 -41.08 77.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.192 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -61.84 -49.49 76.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.044 -179.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 34.4 m95 -66.51 -37.79 85.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.075 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -55.81 -44.37 77.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.154 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 7.0 mt -60.33 -31.25 70.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -66.63 -39.27 88.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 115.79 17.66 6.35 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.632 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.21 -28.07 7.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.724 0.297 . . . . 0.0 110.983 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 7.1 m 64.42 147.58 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.4 tt -88.22 127.1 35.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.98 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -128.07 128.2 44.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.672 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 5.0 mt -102.81 94.04 4.88 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.164 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.25 132.94 23.56 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.508 2.139 . . . . 0.0 112.268 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.5 t -83.03 123.51 38.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.004 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.4 t -116.56 129.18 73.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.184 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 58.59 39.44 24.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.991 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.29 28.83 18.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -138.56 143.93 39.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 10.3 mt -78.75 123.56 35.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.066 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.0 tp -73.23 105.34 4.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -59.92 164.04 4.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.7 mp -118.97 -66.99 1.02 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.997 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -54.85 -51.24 66.51 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.858 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.74 -39.42 91.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.191 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 27.7 tp -64.39 -47.16 80.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 41.9 t -57.99 -34.93 70.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.074 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.61 -45.87 74.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.123 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 45.1 mt -58.76 -44.84 91.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.395 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.6 t -58.85 -50.32 79.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.132 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.19 -46.11 90.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.273 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 97.8 p -56.75 -24.52 50.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.34 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt -82.85 -22.57 34.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.862 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 149.8 -21.64 1.15 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.474 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 138.51 -56.42 0.65 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.287 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -179.02 -57.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.84 0.352 . . . . 0.0 110.842 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -61.24 -36.95 81.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.976 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 78.1 mmm -61.01 -34.79 75.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.42 HG11 ' CD2' ' A' ' 139' ' ' TRP . 16.5 t -67.02 -45.87 86.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.153 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 6.5 m -70.03 -31.93 69.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.999 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 13.8 mtmm -61.64 -33.02 73.22 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.001 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -112.75 2.91 16.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.496 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 57.93 35.41 25.31 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.823 0.344 . . . . 0.0 110.955 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -75.55 -6.7 51.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.45 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.421 ' CE2' ' HG2' ' A' ' 159' ' ' LYS . 93.4 m95 -56.15 -34.46 66.17 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.804 0.335 . . . . 0.0 111.09 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 2.4 m -63.46 -33.02 74.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -71.97 -36.39 69.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 21.5 t -60.6 -48.97 86.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -65.34 -34.75 90.24 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.484 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 17.6 m -62.31 -41.83 98.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.943 0.401 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -61.94 -34.05 75.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.89 -29.34 70.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.826 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 117.95 33.61 1.25 Allowed Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.635 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -86.89 154.47 20.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.764 0.316 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 2.9 mt -86.41 134.54 37.99 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.6 173.55 0.24 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.457 2.105 . . . . 0.0 112.153 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 120.72 -104.02 0.95 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.55 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.53 173.95 7.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.809 0.338 . . . . 0.0 110.935 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -88.05 132.21 11.08 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.586 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 1.7 m -106.68 -21.49 13.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.753 0.311 . . . . 0.0 111.066 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -56.89 -34.03 64.64 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.684 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 49.8 m -68.09 -36.59 80.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.924 0.393 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 4.0 mp -74.11 -41.31 61.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 8.9 mt -64.36 -39.09 93.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . 0.421 ' HG2' ' CE2' ' A' ' 139' ' ' TRP . 0.0 OUTLIER -64.0 -47.04 81.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.955 -179.879 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 2.4 m -63.83 -44.88 91.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.07 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 29.8 m-70 -72.02 -43.69 64.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.064 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -62.65 -49.06 76.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.132 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -94.43 67.55 3.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.101 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -160.69 -49.62 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 1.7 mp -123.61 -26.03 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.744 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 1.5 tt -92.47 -64.56 1.09 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.75 0.31 . . . . 0.0 111.365 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . 0.549 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 1.8 t80 -48.58 -55.32 20.05 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.774 -179.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' PRO . . . . . 0.549 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 11.0 Cg_endo -54.76 -29.25 61.34 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.392 2.061 . . . . 0.0 112.809 -179.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . 0.464 ' CG ' ' CD1' ' A' ' 94' ' ' LEU . 24.2 t80 -57.6 -53.21 60.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 0.0 110.874 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -58.11 -50.16 74.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 5.8 mt -59.87 -34.15 72.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.979 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -58.73 -37.41 76.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -85.15 -42.78 14.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 12.9 m -97.92 31.16 2.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.156 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.274 -1.292 . . . . 0.0 112.608 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.203 0 N-CA-C 112.569 -0.212 . . . . 0.0 112.569 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.12 131.41 19.28 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.531 2.154 . . . . 0.0 112.288 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.9 mt -104.44 82.88 1.98 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -95.46 -81.02 1.54 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.57 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.5 m -111.81 27.42 9.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.759 0.314 . . . . 0.0 111.018 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 60.8 mtp85 -75.12 -47.92 26.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.809 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 10.6 m -66.68 -35.08 73.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.207 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.9 -50.02 70.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.54 -44.76 89.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.745 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.9 -39.32 77.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -58.69 -42.22 88.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.1 mt -62.17 -33.02 73.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.73 -46.6 74.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.972 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -61.56 -42.36 98.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.426 HD13 ' CG ' ' A' ' 169' ' ' TYR . 20.1 tp -66.53 -45.67 78.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.95 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.09 -38.51 75.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.386 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.0 mttt -74.41 -44.62 51.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.14 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -62.37 -49.27 76.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.99 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 39.3 m95 -66.36 -33.14 75.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.939 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.83 -39.34 71.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.006 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.3 mp -59.04 -33.47 70.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -70.03 -44.35 69.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 112.5 23.99 5.19 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.494 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.6 -25.01 13.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.748 0.309 . . . . 0.0 111.074 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 7.8 m 65.38 128.51 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.833 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 45.4 tp -78.93 126.4 30.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.013 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.405 ' O ' ' HD3' ' A' ' 108' ' ' PRO . 1.2 mttp -128.14 132.4 48.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.619 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.1 mp -108.11 98.53 26.83 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.284 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 106' ' ' LYS . 17.7 Cg_exo -66.57 176.29 4.35 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.707 2.271 . . . . 0.0 112.305 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 31.2 t -122.88 120.87 61.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.77 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 20.8 t -109.62 122.1 63.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.393 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 55.56 45.09 25.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.149 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.99 27.53 13.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.94 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 5.0 tttm -136.92 140.33 42.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.786 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 3.5 mp -69.66 138.54 21.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.04 112.7 22.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -69.03 157.65 36.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.804 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.6 mp -115.88 -58.25 2.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.066 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.41 ' CE2' ' HE3' ' A' ' 122' ' ' LYS . 13.7 t80 -56.22 -51.12 69.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.04 -44.9 95.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.322 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.76 -48.98 79.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.059 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.5 t -58.63 -35.65 72.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.106 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.41 ' HE3' ' CE2' ' A' ' 118' ' ' TYR . 20.6 mttt -67.95 -46.69 70.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.064 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 23.6 mt -58.96 -39.75 78.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.384 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 22.1 t -62.26 -50.27 80.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.102 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.5 -38.57 84.74 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.288 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 25.9 p -56.76 -26.74 58.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.276 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.91 -25.59 30.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.916 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 152.3 -22.44 0.86 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.614 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 145.88 -58.96 0.5 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.346 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.416 ' HB2' ' CZ ' ' A' ' 167' ' ' TYR . 19.7 t80 -179.48 -56.92 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.832 0.349 . . . . 0.0 110.861 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -57.44 -39.23 75.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.999 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 4.3 mmm -60.95 -37.63 83.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.756 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.42 HG11 ' CD2' ' A' ' 139' ' ' TRP . 25.0 t -67.01 -44.45 88.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.074 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.2 m -69.11 -45.74 69.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.66 -35.81 79.03 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.954 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -89.55 -19.62 24.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.018 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.94 37.75 2.99 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.883 0.373 . . . . 0.0 111.002 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -97.43 18.26 15.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.42 ' CD2' HG11 ' A' ' 133' ' ' VAL . 62.0 m95 -67.06 -34.9 78.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.875 0.369 . . . . 0.0 110.897 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 5.4 m -59.94 -38.86 83.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.832 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -62.02 -32.29 72.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 21.6 t -63.51 -49.0 84.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.152 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -61.52 -32.76 82.38 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.606 -0.806 . . . . 0.0 112.511 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 22.4 m -65.92 -43.24 88.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.787 0.327 . . . . 0.0 110.843 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -31.27 71.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 7.1 mt -73.73 -31.33 63.31 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.813 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 122.1 45.08 0.34 Allowed Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.576 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -101.21 158.95 15.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.804 0.335 . . . . 0.0 110.88 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 16.4 mt -103.58 153.82 38.33 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -68.6 132.46 25.33 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.536 2.157 . . . . 0.0 112.238 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 179.63 -171.26 42.9 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.49 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 47.4 mttp -96.39 143.09 27.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.908 0.385 . . . . 0.0 110.782 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 60.13 90.64 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.588 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 49.8 m -158.67 -53.66 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.765 0.316 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -61.49 -38.84 96.45 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.634 -0.794 . . . . 0.0 112.499 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 67.9 m -66.04 -34.4 77.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.852 0.358 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 9.7 mp -65.29 -46.06 81.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.803 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 44.8 mt -60.88 -35.44 76.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.956 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.76 -38.16 79.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 68.3 m -66.55 -45.7 78.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -63.93 -43.11 96.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -62.91 -35.5 80.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.403 ' OE1' ' CZ ' ' A' ' 130' ' ' PHE . 11.7 tp10 -97.07 44.79 1.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.828 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.64 -46.39 0.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 1.8 mp -134.8 -36.18 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.394 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 5.9 mp -69.5 -74.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.494 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . 0.569 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 2.1 t80 -54.74 -53.45 60.41 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.292 -0.413 . . . . 0.0 112.045 -179.415 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' PRO . . . . . 0.569 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 9.3 Cg_endo -54.49 -25.77 41.91 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.253 1.968 . . . . 0.0 112.826 -179.12 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . 0.444 ' CE1' ' NE2' ' A' ' 173' ' ' GLN . 58.9 t80 -58.61 -53.08 62.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.757 0.313 . . . . 0.0 110.661 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.43 -50.15 70.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 51.5 mt -54.9 -33.9 62.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.068 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -68.38 -32.0 71.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . 0.444 ' NE2' ' CE1' ' A' ' 169' ' ' TYR . 60.2 mm-40 -66.39 -44.05 84.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.963 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 2.3 m -179.96 39.21 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.923 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.132 0 CA-C-O 118.404 -1.22 . . . . 0.0 112.571 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.237 0 N-CA-C 112.593 -0.203 . . . . 0.0 112.593 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -74.33 103.05 1.62 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.657 2.238 . . . . 0.0 112.306 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.8 mp -94.5 111.6 23.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -122.04 -100.9 1.64 Allowed Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.512 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.8 p -127.67 87.89 2.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.942 0.401 . . . . 0.0 110.999 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -73.83 -49.86 23.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.938 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 17.1 m -58.27 -35.87 55.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.239 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.3 ttp180 -63.49 -44.69 93.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.49 -43.49 96.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.8 -43.08 85.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.157 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -60.23 -41.93 94.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.083 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.82 -41.48 97.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.073 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -61.34 -37.11 82.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.231 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -68.13 -43.24 78.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.03 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.426 ' HG ' ' CG ' ' A' ' 169' ' ' TYR . 4.2 tt -68.0 -42.92 79.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.962 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.04 -44.98 68.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.247 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.92 -41.81 95.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.161 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -59.56 -49.12 79.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 42.6 m95 -66.03 -36.14 82.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.9 -39.79 72.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 64.1 mt -59.15 -38.69 80.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.807 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -63.01 -45.03 94.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.835 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 114.86 22.94 4.82 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.487 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -103.93 -25.35 13.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.729 0.299 . . . . 0.0 111.02 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 10.6 m 68.84 119.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.753 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.4 ' CD2' ' CG2' ' A' ' 165' ' ' ILE . 0.4 OUTLIER -79.23 126.18 30.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.081 -179.826 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.05 109.85 14.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.759 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 4.7 mt -71.89 110.91 8.76 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.08 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -69.03 156.16 66.12 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.446 2.097 . . . . 0.0 112.198 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 t -117.01 112.78 40.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.174 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.4 t -112.07 135.29 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 60.49 32.93 20.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 61.0 32.27 19.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -151.34 155.11 38.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 32.2 mt -77.22 132.49 32.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.088 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 7.6 tt -87.17 122.53 31.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.046 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -67.13 142.23 57.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.784 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 14.0 mt -98.58 -54.45 3.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.974 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -56.93 -51.03 70.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.2 -46.65 89.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.16 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.3 tp -62.61 -41.68 99.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.021 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.0 t -58.3 -38.73 77.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.078 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.1 mmtm -68.11 -45.03 74.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.08 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 55.1 mt -58.73 -38.67 73.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.368 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 16.9 t -68.07 -50.29 60.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.101 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.34 -44.8 95.63 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.249 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 35.9 p -56.71 -24.35 48.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.224 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.77 -24.55 33.41 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.86 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 151.85 -22.4 0.9 Allowed Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.625 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 145.38 -61.27 0.48 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.507 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.419 ' CZ ' ' HE2' ' A' ' 159' ' ' LYS . 88.7 t80 -178.83 -59.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.899 0.38 . . . . 0.0 110.821 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -58.96 -37.23 76.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.987 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -61.0 -38.32 85.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.783 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.415 HG13 ' CE2' ' A' ' 139' ' ' TRP . 16.2 t -66.99 -39.91 84.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.056 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.46 -46.01 74.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -61.96 -38.11 87.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.981 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -86.6 -20.67 27.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.039 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 10.2 tttt 65.88 37.1 5.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.914 0.388 . . . . 0.0 110.816 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.78 8.5 28.65 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.358 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.415 ' CE2' HG13 ' A' ' 133' ' ' VAL . 85.8 m95 -62.25 -32.01 72.65 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.796 0.332 . . . . 0.0 110.73 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 7.4 m -60.84 -37.43 82.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.749 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -69.66 -33.38 72.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.8 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 29.9 t -59.95 -47.06 93.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.007 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -64.26 -35.31 91.81 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.415 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 3.2 m -61.24 -37.76 84.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.824 0.345 . . . . 0.0 110.809 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.25 -31.61 72.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 9.3 mp -78.86 -59.32 2.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 156.1 43.99 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.475 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -105.58 137.43 43.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.892 0.377 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 24.2 mt -104.65 153.81 38.95 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.58 117.71 5.06 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.516 2.144 . . . . 0.0 112.313 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -131.67 -112.32 1.43 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.534 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -105.66 -60.23 1.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.797 0.332 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -163.87 91.37 0.11 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.414 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 5.2 m -110.66 -30.26 7.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.8 0.334 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -58.42 -41.9 95.49 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.525 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 1.6 m -63.53 -31.22 72.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.883 0.373 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -72.95 -32.64 65.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.954 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 77.3 mt -67.9 -44.94 75.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . 0.419 ' HE2' ' CZ ' ' A' ' 130' ' ' PHE . 3.3 tmtt? -61.93 -44.92 95.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.922 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 5.3 m -66.8 -43.1 84.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -65.03 -43.61 91.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . 0.439 ' CE2' ' CD1' ' A' ' 167' ' ' TYR . 70.9 t80 -61.37 -49.01 78.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.958 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -90.93 70.16 6.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.36 -41.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.101 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.4 ' CG2' ' CD2' ' A' ' 105' ' ' LEU . 1.9 mp -129.39 -42.1 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.524 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 1.3 tt -78.03 -57.31 3.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.531 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . 0.54 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 1.5 t80 -55.29 -55.45 39.49 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.824 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 10.4 Cg_endo -54.78 -25.72 44.14 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.401 2.068 . . . . 0.0 112.849 -179.375 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . 0.426 ' CG ' ' HG ' ' A' ' 94' ' ' LEU . 27.7 t80 -56.8 -53.19 60.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 110.779 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.94 -50.05 74.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.042 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 6.2 mp -56.07 -34.0 65.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.16 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -65.32 -31.34 72.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 -66.39 -44.32 83.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.572 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -110.27 26.83 10.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.52 179.561 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.324 -1.264 . . . . 0.0 112.491 180.0 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.276 0 N-CA-C 112.583 -0.207 . . . . 0.0 112.583 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.23 116.12 4.56 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.482 2.121 . . . . 0.0 112.3 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.1 mt -109.2 119.12 38.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -163.0 -92.73 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.57 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.1 m -109.85 -29.53 8.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.726 0.298 . . . . 0.0 110.968 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.31 -44.95 92.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.983 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 15.6 m -60.0 -35.98 64.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.153 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -63.23 -49.18 75.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.24 -42.74 99.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.77 -42.91 85.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -58.38 -48.97 78.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.2 mp -60.02 -32.97 71.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.05 -45.44 93.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.939 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 61.7 mm-40 -66.32 -40.05 89.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.414 HD11 ' CG ' ' A' ' 169' ' ' TYR . 56.0 tp -64.97 -45.21 86.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.801 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.85 -43.13 72.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.5 mmtm -66.29 -43.33 86.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -63.52 -49.12 74.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.048 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 33.8 m95 -66.02 -36.14 82.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -55.8 -42.59 75.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.039 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.7 mt -60.99 -31.82 71.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.833 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -70.45 -41.72 72.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 112.4 22.87 5.66 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.498 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.09 -27.0 13.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.81 0.338 . . . . 0.0 111.06 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 23.6 m 65.54 105.61 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.31 134.79 55.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.018 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -128.03 132.17 49.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.751 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.0 mp -99.19 96.96 4.68 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.234 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.71 132.98 24.56 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.469 2.113 . . . . 0.0 112.351 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 t -94.91 116.69 36.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.986 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 18.2 t -106.94 123.12 61.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.196 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 59.99 38.44 20.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.38 30.02 19.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.956 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.8 mtmp? -142.51 144.86 33.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 3.6 mp -73.74 131.36 35.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.079 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 7.9 tt -79.41 119.19 22.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -60.28 152.45 24.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.823 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.9 mp -124.6 -54.47 1.66 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.08 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -55.24 -51.18 67.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.126 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.19 -47.14 80.92 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.333 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 49.6 tp -58.94 -41.23 86.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.251 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.7 t -58.02 -38.91 77.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.15 -40.18 82.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.105 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 71.3 mt -58.91 -48.93 84.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.369 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.422 HG21 ' CE2' ' A' ' 162' ' ' TYR . 19.6 t -57.22 -50.24 77.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.31 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.61 -43.21 99.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.232 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 17.4 p -56.74 -24.83 52.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.258 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.12 -24.19 30.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.964 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 148.62 -19.4 1.3 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.668 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 144.87 -55.62 0.55 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.45 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.437 ' HB2' ' CZ ' ' A' ' 167' ' ' TYR . 12.1 t80 -178.69 -55.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.81 0.338 . . . . 0.0 110.972 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -58.33 -38.62 77.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.925 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.01 -35.08 75.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.416 HG12 ' CD1' ' A' ' 139' ' ' TRP . 30.4 t -67.03 -43.29 89.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.012 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 4.1 m -69.69 -45.4 68.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 36.8 mttt -61.77 -32.68 72.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -92.61 -13.54 29.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.228 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 66.33 31.69 8.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.876 0.37 . . . . 0.0 110.774 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt -76.76 -13.81 59.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.28 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.416 ' CD1' HG12 ' A' ' 133' ' ' VAL . 85.5 m95 -53.05 -38.54 62.53 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.79 0.329 . . . . 0.0 111.107 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 40.8 m -64.22 -40.54 96.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.762 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 9.1 mmmt -68.12 -33.41 74.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.859 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 35.4 t -60.44 -48.61 87.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.131 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -60.08 -39.15 95.39 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.523 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 70.4 m -67.07 -36.8 82.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.792 0.329 . . . . 0.0 110.946 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -34.1 76.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -68.66 -58.17 4.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.816 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 145.0 44.98 0.04 OUTLIER Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.58 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -91.64 176.7 6.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.765 0.317 . . . . 0.0 110.999 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.5 mt -120.9 154.01 57.51 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.68 98.8 0.8 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.519 2.146 . . . . 0.0 112.264 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -135.92 -160.74 8.96 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.531 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 19.2 mttp -79.83 102.73 9.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.778 0.323 . . . . 0.0 110.943 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 66.33 135.38 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.478 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -159.7 -46.29 0.05 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.795 0.331 . . . . 0.0 110.91 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -63.6 -41.75 99.02 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.544 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 2.3 m -64.49 -32.58 74.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 21.3 mt -65.28 -46.02 82.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.909 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 75.6 mt -60.5 -42.37 96.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.828 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . 0.405 ' HG2' ' CE2' ' A' ' 139' ' ' TRP . 0.0 OUTLIER -65.36 -40.93 94.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.817 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 13.4 m -67.0 -40.81 87.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 51.6 m-70 -72.05 -45.98 58.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . 0.422 ' CE2' HG21 ' A' ' 124' ' ' VAL . 75.2 t80 -59.04 -48.07 82.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -88.08 55.1 3.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.763 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.42 -43.94 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.098 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 2.6 mp -131.43 -42.74 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.43 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . 0.409 HD13 ' CD1' ' A' ' 162' ' ' TYR . 0.5 OUTLIER -69.75 -68.01 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.453 -179.535 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . 0.545 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 3.1 t80 -48.53 -54.61 24.93 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.978 -179.547 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 10.6 Cg_endo -54.86 -25.48 43.66 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.303 2.002 . . . . 0.0 112.534 -179.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . 0.414 ' CG ' HD11 ' A' ' 94' ' ' LEU . 17.6 t80 -56.91 -53.2 60.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.829 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.79 -50.06 75.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.925 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 7.7 mt -58.87 -40.02 83.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.126 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -58.65 -37.24 75.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.052 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -85.02 -43.02 14.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.991 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 3.0 m -97.18 30.55 2.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.058 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.301 -1.277 . . . . 0.0 112.533 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.49 -45.55 1.17 Allowed 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.51 2.14 . . . . 0.0 112.309 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.8 mp -81.75 97.34 7.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -91.15 -116.75 2.01 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.492 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.1 m -148.08 51.52 1.03 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.993 0.425 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 41.7 mtt180 -67.17 -47.38 71.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 8.1 m -66.1 -35.01 74.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.218 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.99 -46.17 75.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.22 -43.6 94.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -57.87 -42.04 83.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.118 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -58.05 -50.07 74.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.01 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.7 mp -61.0 -32.9 72.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.96 -46.64 89.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.998 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 -61.46 -42.92 99.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.942 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.416 ' HG ' ' CD1' ' A' ' 169' ' ' TYR . 0.8 OUTLIER -68.0 -39.61 83.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.796 -179.868 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.98 -43.06 72.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.172 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -71.08 -33.0 69.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.993 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -66.05 -49.27 68.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.007 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 44.5 m95 -66.13 -35.55 80.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.976 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.78 -45.14 78.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.057 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.46 -31.18 72.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.591 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -70.89 -39.23 72.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.757 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 137.58 -9.49 3.72 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.875 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.9 -164.26 1.09 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.856 0.36 . . . . 0.0 110.86 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.0 t -152.4 143.13 22.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.743 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.21 120.43 26.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -127.81 128.07 44.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.722 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.7 mp -98.53 100.82 10.07 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.271 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.19 -179.75 4.25 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.495 2.13 . . . . 0.0 112.338 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.5 t -124.67 128.03 73.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.032 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 20.6 t -109.67 124.09 66.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.286 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 66.95 -66.84 0.18 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.093 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.42 38.88 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.752 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.53 160.3 34.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.679 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 3.7 mt -86.86 129.55 38.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.181 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 7.6 tt -76.91 103.05 6.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -58.47 159.22 6.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.969 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 16.3 mt -116.65 -59.78 1.93 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.407 ' CE2' ' HE3' ' A' ' 122' ' ' LYS . 14.5 t80 -57.08 -51.25 70.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.855 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.16 -42.39 99.42 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.078 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 31.8 tp -69.04 -33.02 72.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.976 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 37.0 t -69.08 -35.89 77.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.029 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.407 ' HE3' ' CE2' ' A' ' 118' ' ' TYR . 3.2 mttm -67.77 -45.3 75.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.992 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 56.2 mt -58.83 -38.85 75.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.404 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.42 HG21 ' CZ3' ' A' ' 139' ' ' TRP . 22.7 t -64.93 -50.23 76.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.235 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.33 -44.52 95.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.313 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 59.9 p -56.79 -26.75 58.49 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.251 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 11.2 mttm -84.17 -26.36 28.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.996 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 156.38 -23.98 0.51 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.608 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 134.63 -49.43 0.9 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.529 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.452 ' CD2' ' CZ ' ' A' ' 167' ' ' TYR . 7.9 t80 -176.72 -53.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.94 0.4 . . . . 0.0 110.893 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -59.68 -42.26 92.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 16.8 mmt -61.02 -39.06 88.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.974 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.415 HG13 ' CD2' ' A' ' 139' ' ' TRP . 20.7 t -66.88 -46.86 84.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.063 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.8 m -69.96 -39.09 76.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.978 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -61.69 -31.79 71.94 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -103.0 -0.53 30.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.447 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp 59.71 30.81 20.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.893 0.378 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.79 -11.92 60.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.296 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.42 ' CZ3' HG21 ' A' ' 124' ' ' VAL . 86.9 m95 -53.76 -39.72 65.59 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.851 0.358 . . . . 0.0 111.122 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 75.6 m -69.98 -33.03 71.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.95 -31.75 66.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 24.7 t -67.69 -47.16 80.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.106 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -63.96 -40.09 97.93 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.534 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 3.1 m -62.7 -37.29 85.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.837 0.351 . . . . 0.0 110.891 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.05 -31.7 72.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -77.53 -58.47 3.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.949 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 166.23 42.4 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.536 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -110.53 133.94 52.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.368 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 77.4 mt -87.75 150.56 48.47 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.65 93.13 0.6 Allowed 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.485 2.123 . . . . 0.0 112.329 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -117.49 176.87 16.37 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.557 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -65.29 101.43 0.56 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.814 0.34 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 76.5 129.15 0.33 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.471 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -161.53 -44.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 110.913 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -57.05 -37.32 78.78 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.544 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 2.5 m -67.24 -35.88 80.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.774 0.321 . . . . 0.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 3.1 mt -74.03 -46.06 45.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.769 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 6.1 mt -61.65 -44.98 95.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.66 -39.38 94.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 17.8 m -67.11 -46.13 75.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.068 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 26.7 m-70 -71.02 -38.8 72.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.015 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . 0.418 ' CZ ' HG22 ' A' ' 124' ' ' VAL . 85.1 t80 -68.04 -34.93 77.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.027 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.417 ' HG3' ' CD2' ' A' ' 167' ' ' TYR . 29.7 tt0 -107.41 77.73 1.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.082 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -169.13 -34.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.781 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 1.5 mt -124.54 -55.39 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . 0.409 HD12 ' CE1' ' A' ' 162' ' ' TYR . 0.6 OUTLIER -77.49 -36.48 52.66 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -178.927 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . 0.517 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 5.1 t80 -68.26 -55.97 11.59 Favored Pre-proline 0 C--N 1.329 -0.295 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 10.5 Cg_endo -54.84 -25.86 45.35 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.319 2.013 . . . . 0.0 112.389 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . 0.416 ' CD1' ' HG ' ' A' ' 94' ' ' LEU . 88.4 t80 -59.04 -53.16 61.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.821 0.344 . . . . 0.0 110.679 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.07 -50.18 75.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.821 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -58.94 -33.94 71.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -57.35 -41.93 81.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.938 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -85.08 -40.55 16.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.056 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 2.5 m -97.85 31.39 2.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.979 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.404 -1.22 . . . . 0.0 112.584 -179.964 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.169 0 N-CA-C 112.539 -0.224 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.63 -21.01 34.68 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.583 2.189 . . . . 0.0 112.392 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.1 mp -127.69 125.86 40.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.014 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 123.43 -33.36 4.01 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.665 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.69 13.28 20.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.596 0.236 . . . . 0.0 111.311 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -75.17 -50.94 14.66 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.894 0.378 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 18.7 m -60.64 -39.0 80.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.262 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -50.04 70.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.45 -40.4 96.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -57.84 -42.53 84.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -59.8 -42.05 92.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.096 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 31.4 mt -66.81 -40.3 88.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -61.06 -42.45 98.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -62.82 -43.24 99.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.956 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.91 -38.9 83.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.2 -43.96 80.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.213 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -64.91 -43.16 93.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -60.19 -49.01 79.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.054 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 29.5 m95 -65.74 -38.42 89.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.037 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -55.85 -43.16 76.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.036 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.3 mt -59.03 -28.54 66.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.702 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -78.95 -45.3 20.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.837 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.91 -16.36 1.2 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.795 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.03 -165.48 1.36 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.76 0.314 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 9.6 t -160.99 121.73 2.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.826 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.4 118.53 8.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.05 109.96 12.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.2 mp -69.29 111.63 9.26 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.205 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -76.92 165.62 28.15 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.455 2.104 . . . . 0.0 112.458 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 t -114.17 105.89 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.038 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.4 t -111.42 136.5 47.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.319 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 57.91 37.1 26.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.056 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.59 29.62 18.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.846 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.31 156.65 42.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.804 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 6.3 mt -71.71 140.53 18.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.041 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.8 tt -92.51 100.47 13.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -60.24 137.16 58.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 21.1 mt -102.07 -47.96 4.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -60.46 -51.31 70.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.79 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.91 -45.31 95.15 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.241 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 13.6 tp -58.53 -33.02 69.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.053 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.3 t -67.99 -41.54 82.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.982 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -68.03 -43.04 79.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.035 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 10.7 mt -58.76 -49.12 83.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.303 -179.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.427 HG21 ' CZ ' ' A' ' 162' ' ' TYR . 20.1 t -59.34 -50.05 81.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.207 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.28 -43.99 83.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.278 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 51.5 p -56.85 -27.03 59.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.148 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -83.15 -26.26 31.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.832 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 155.52 -23.73 0.57 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.629 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 141.28 -56.87 0.59 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.47 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -179.24 -57.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.762 0.315 . . . . 0.0 110.815 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -60.1 -36.26 77.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.08 -39.3 89.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.737 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 15.8 t -66.99 -40.08 84.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.059 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.3 m -69.75 -43.69 71.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -61.79 -37.97 86.34 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -89.8 -17.3 28.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 67.4 39.34 2.96 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.802 0.335 . . . . 0.0 110.851 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 3.4 mmmt -96.04 19.56 11.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.128 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.411 ' CD1' ' HD2' ' A' ' 159' ' ' LYS . 63.3 m95 -67.1 -36.87 82.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.814 0.34 . . . . 0.0 110.881 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.08 -36.4 83.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.965 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.53 -38.5 91.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.769 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 32.4 t -60.37 -48.63 87.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.061 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -60.65 -36.21 91.11 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.432 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 12.7 m -63.17 -35.81 81.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.329 . . . . 0.0 110.976 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.93 -34.1 73.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.939 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 2.8 mt -72.28 -69.45 0.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.744 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 158.41 41.13 0.02 OUTLIER Glycine 0 N--CA 1.453 -0.196 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.49 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . 0.437 ' CE2' HD21 ' A' ' 158' ' ' LEU . 8.2 m-85 -112.2 113.72 26.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.703 0.287 . . . . 0.0 110.924 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 37.7 mt -59.76 117.76 25.86 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.823 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -55.94 -166.43 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.504 2.136 . . . . 0.0 112.289 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 134.85 -108.86 0.73 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.437 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -124.53 103.6 8.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.765 0.316 . . . . 0.0 110.868 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 102.37 -132.5 11.02 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.492 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 9.5 m 69.34 -63.62 0.37 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.765 0.317 . . . . 0.0 111.227 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -56.9 -34.01 64.63 Favored Glycine 0 C--N 1.329 0.168 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.54 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 39.8 m -65.39 -40.68 93.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.908 0.385 . . . . 0.0 110.77 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 2.3 mt -72.39 -32.12 66.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.437 HD21 ' CE2' ' A' ' 148' ' ' TYR . 23.4 mt -62.41 -44.87 95.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.931 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . 0.411 ' HD2' ' CD1' ' A' ' 139' ' ' TRP . 2.1 mtpt -60.97 -47.48 86.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 40.1 m -67.11 -46.01 75.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.977 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -64.8 -38.01 89.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.967 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . 0.448 ' CE1' ' CD1' ' A' ' 166' ' ' LEU . 80.2 t80 -70.03 -49.13 54.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.966 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -95.12 72.88 3.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 -164.93 -35.33 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.566 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 3.3 mt -121.76 -63.8 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . 0.448 ' CD1' ' CE1' ' A' ' 162' ' ' TYR . 3.8 pp -71.03 -47.09 60.6 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -178.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . 0.496 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 2.0 t80 -56.11 -56.06 35.03 Favored Pre-proline 0 C--N 1.329 -0.32 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -179.302 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 18.5 Cg_endo -59.57 -25.99 80.61 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.279 1.986 . . . . 0.0 112.607 -179.684 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -57.37 -53.18 61.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.885 0.374 . . . . 0.0 110.877 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.34 -50.25 74.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.01 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 2.3 mt -59.88 -35.21 74.35 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.108 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -57.25 -40.89 78.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.056 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -84.98 -39.68 17.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.037 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 8.6 m -98.04 30.76 2.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.03 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.342 -1.254 . . . . 0.0 112.47 -179.916 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.19 0 N-CA-C 112.519 -0.233 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.87 172.51 13.59 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.572 2.181 . . . . 0.0 112.247 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.9 mt 60.29 104.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -98.92 -11.13 47.42 Favored Glycine 0 CA--C 1.519 0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.832 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.96 23.24 6.57 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.713 0.257 . . . . 0.0 111.163 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 45.6 mtm180 -75.03 -50.97 14.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.904 0.383 . . . . 0.0 110.797 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 31.5 m -65.65 -38.59 82.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.153 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.87 -42.9 89.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 15.5 mt -61.66 -44.82 96.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.87 -42.08 83.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.005 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -58.98 -42.65 90.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.95 -32.89 74.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.68 -40.91 96.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -61.03 -43.6 98.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.419 HD12 ' CD2' ' A' ' 169' ' ' TYR . 0.3 OUTLIER -68.08 -41.28 82.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.09 -36.09 79.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.246 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 16.0 mmtm -75.04 -37.49 61.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.041 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -66.16 -48.98 68.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.103 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 43.9 m95 -64.91 -34.43 78.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.988 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.75 -45.08 78.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.889 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.2 mt -61.25 -27.95 68.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.647 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -79.61 -39.59 31.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.67 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 134.63 -6.64 4.53 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.844 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.4 m -92.35 -169.65 2.29 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.932 0.396 . . . . 0.0 110.927 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.5 t -150.87 117.02 5.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.986 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -65.78 114.95 5.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.02 110.07 12.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 6.6 pt -73.93 110.85 10.18 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.084 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.41 149.28 68.93 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.46 2.107 . . . . 0.0 112.272 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.9 t -97.46 116.4 39.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.092 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 20.2 t -117.67 136.33 55.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.192 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 59.87 35.19 21.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 59.82 29.8 19.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.824 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.57 165.4 33.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 27.7 mt -74.95 138.47 20.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.21 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 8.1 tt -91.63 117.54 29.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.958 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -65.48 136.76 56.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 34.9 mt -109.24 -46.6 3.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.968 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -59.76 -51.19 70.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.083 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -59.9 -47.11 87.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.337 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 40.6 tp -58.5 -34.61 71.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 37.7 t -63.67 -44.64 93.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.112 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -68.05 -40.86 82.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.142 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 13.8 mt -58.8 -44.97 91.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.447 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.7 t -60.37 -50.36 80.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.314 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.71 -47.05 87.01 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.44 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.2 p -56.89 -25.31 56.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.323 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -82.73 -25.93 32.42 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 157.91 -25.55 0.43 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.522 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 140.71 -60.22 0.56 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.497 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.408 ' CZ ' ' HD3' ' A' ' 159' ' ' LYS . 16.6 t80 -176.8 -58.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.891 0.377 . . . . 0.0 111.037 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -59.52 -41.63 90.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.06 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.4 ttm -60.92 -36.35 79.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.999 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.06 -44.76 87.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.202 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.7 m -70.04 -34.03 72.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 3.3 mmmt -61.75 -37.02 82.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.081 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -104.32 4.29 33.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.473 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 5.6 tptm 57.0 31.79 20.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.784 0.326 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -69.28 -12.39 61.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.397 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -53.16 -34.42 56.78 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.74 0.305 . . . . 0.0 111.099 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 58.3 m -65.21 -37.51 87.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 10.9 mtmm -70.17 -32.51 70.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.813 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.46 -46.73 92.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.13 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -63.57 -40.92 99.2 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.494 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 4.6 m -59.92 -35.89 75.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.777 0.322 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 14.3 mtt180 -71.29 -33.98 70.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.866 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.84 -67.47 0.64 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 171.01 40.09 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.42 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -112.98 159.74 18.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.784 0.326 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 18.5 mt -111.96 151.63 43.68 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.934 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.35 89.86 0.58 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.526 2.151 . . . . 0.0 112.241 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -103.27 -148.9 20.51 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.452 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 46.7 mmtt -90.4 -45.08 9.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.801 0.334 . . . . 0.0 110.86 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -141.44 100.12 0.26 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.546 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 4.3 m -137.88 -49.44 0.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.856 0.36 . . . . 0.0 110.925 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -59.27 -33.93 77.81 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.5 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 1.5 m -65.62 -40.21 92.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.812 0.339 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 2.2 mp -68.47 -39.3 81.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.934 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 24.4 mt -59.99 -39.5 85.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . 0.408 ' HD3' ' CZ ' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -70.16 -40.85 74.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 47.9 m -66.93 -46.03 76.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -67.8 -44.64 76.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . 0.413 ' CD1' HD23 ' A' ' 166' ' ' LEU . 73.1 t80 -59.86 -43.63 94.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -99.77 73.83 1.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -167.97 -39.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.335 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 1.5 mt -126.07 -38.06 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.696 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . 0.413 HD23 ' CD1' ' A' ' 162' ' ' TYR . 11.7 tp -85.92 -59.94 2.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.83 0.348 . . . . 0.0 111.504 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . 0.473 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 1.7 t80 -47.57 -46.91 60.6 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.871 -179.548 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 167' ' ' TYR . 52.2 Cg_exo -54.6 -31.5 70.5 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.231 1.954 . . . . 0.0 112.488 -179.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . 0.419 ' CD2' HD12 ' A' ' 94' ' ' LEU . 21.2 t80 -57.01 -53.17 61.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.084 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.99 -50.33 73.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.63 -33.96 74.85 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.036 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -58.04 -36.27 72.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.083 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -85.11 -43.74 13.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.027 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 6.2 m -97.1 30.85 2.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.447 -1.196 . . . . 0.0 112.45 179.997 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.082 0 N-CA-C 112.565 -0.214 . . . . 0.0 112.565 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.31 102.45 1.26 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.55 2.167 . . . . 0.0 112.19 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 18.2 mt -116.07 105.76 12.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -160.96 -93.59 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.512 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.1 p -102.71 36.5 2.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.827 0.346 . . . . 0.0 110.972 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -66.24 -51.18 60.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 28.6 m -63.12 -37.77 80.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.21 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 -66.65 -48.46 69.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.74 -42.2 92.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.769 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.96 -38.66 76.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.02 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.42 ' CD2' ' CD2' ' A' ' 118' ' ' TYR . 47.9 t80 -60.52 -41.99 95.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.941 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.66 -33.12 75.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.803 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -60.96 -43.66 98.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.87 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -68.35 -47.36 67.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.789 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.454 ' CD1' ' CD2' ' A' ' 169' ' ' TYR . 5.3 tt -62.56 -38.95 92.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.939 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.65 -46.08 66.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.43 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.98 -35.42 72.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.207 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -67.04 -49.05 66.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.154 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 36.3 m95 -66.05 -36.23 82.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.809 0.338 . . . . 0.0 111.001 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.65 -40.55 72.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.976 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.7 mt -59.04 -30.72 68.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.636 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -76.0 -44.39 39.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.693 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 146.02 -15.39 1.73 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.719 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.78 -161.77 0.89 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.691 0.281 . . . . 0.0 110.794 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.69 141.14 17.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.853 0.359 . . . . 0.0 110.788 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.91 124.16 20.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.653 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.12 132.48 48.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.898 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.3 mp -114.08 81.75 6.5 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.212 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.67 149.2 32.99 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.446 2.097 . . . . 0.0 112.311 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 t -96.4 119.11 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.101 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 20.6 t -106.92 125.21 62.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.193 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 60.0 38.14 20.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.804 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 2.8 mtt85 60.15 31.58 20.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 18.1 mmtt -147.56 143.95 28.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 23.3 mt -78.34 123.12 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.042 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 45.9 tp -81.89 136.21 35.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.821 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -66.55 158.2 30.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 25.7 mt -114.38 -66.23 1.11 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.969 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.42 ' CD2' ' CD2' ' A' ' 90' ' ' PHE . 1.1 t80 -56.1 -51.01 69.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -58.39 -37.25 74.91 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.158 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 32.3 tp -65.06 -48.97 71.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.887 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 29.4 t -59.09 -34.99 72.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.966 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -66.84 -45.54 77.9 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.045 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 7.8 mt -58.81 -39.23 76.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.183 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.41 HG23 ' CH2' ' A' ' 139' ' ' TRP . 30.6 t -60.24 -50.2 81.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.143 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -56.9 -44.82 82.74 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.267 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 52.2 p -56.84 -21.9 32.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.445 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 24.1 mmtt -86.23 -31.43 21.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.856 0.36 . . . . 0.0 110.697 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 143.88 40.57 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.63 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 86.51 -66.98 3.54 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.761 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -176.27 -53.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.718 0.294 . . . . 0.0 111.056 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -56.79 -42.38 79.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.178 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 10.6 mmt -60.96 -33.71 73.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.416 HG11 ' CD1' ' A' ' 139' ' ' TRP . 21.1 t -61.4 -47.7 92.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.084 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 7.2 m -68.42 -45.2 73.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.797 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.72 -31.94 72.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -93.65 -17.26 23.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.175 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp 67.88 36.51 3.43 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.824 0.345 . . . . 0.0 110.816 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 13.6 mmtm -87.95 -1.75 58.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.392 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.416 ' CD1' HG11 ' A' ' 133' ' ' VAL . 71.0 m95 -59.12 -38.0 78.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.848 0.356 . . . . 0.0 110.838 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.7 m -63.98 -36.84 85.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 27.2 mttm -68.27 -32.34 72.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.941 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 21.6 t -65.75 -42.42 92.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -68.91 -41.87 80.61 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.573 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 13.9 m -60.32 -36.48 78.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.894 0.378 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.55 -31.63 71.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.849 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -67.07 -60.74 2.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.777 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 154.93 56.42 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.519 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . 0.404 ' CZ ' HD22 ' A' ' 158' ' ' LEU . 4.9 m-85 -109.23 118.89 37.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.849 0.357 . . . . 0.0 110.865 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 20.6 mt -63.7 130.29 94.29 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.831 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.16 162.02 3.17 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.491 2.127 . . . . 0.0 112.252 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 140.87 -92.58 0.18 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.504 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.88 171.86 8.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.79 0.328 . . . . 0.0 110.977 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -81.2 126.8 7.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.514 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -129.57 12.61 5.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.682 0.277 . . . . 0.0 111.314 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -74.99 -42.03 30.9 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.49 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 43.6 m -65.16 -31.76 73.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.79 0.328 . . . . 0.0 110.939 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 75.3 mt -67.11 -43.46 82.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.404 HD22 ' CZ ' ' A' ' 148' ' ' TYR . 5.0 mt -59.23 -43.38 92.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.962 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.15 -36.11 76.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 3.1 m -66.96 -45.33 78.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.007 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -66.82 -47.9 70.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -59.43 -49.01 79.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.812 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -89.79 68.65 7.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.709 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -163.63 -40.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.035 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 2.7 mp -135.29 -43.04 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.47 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.37 -60.59 2.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.348 -179.599 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . 0.522 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 1.9 t80 -56.56 -56.16 35.13 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.745 -179.579 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 10.8 Cg_endo -55.01 -29.52 65.28 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.254 1.969 . . . . 0.0 112.546 -179.6 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . 0.454 ' CD2' ' CD1' ' A' ' 94' ' ' LEU . 19.3 t80 -58.82 -53.05 62.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.912 0.387 . . . . 0.0 110.813 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.49 -50.32 74.17 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 5.9 mt -58.37 -36.87 74.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.011 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -57.98 -34.98 70.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -77.59 -44.0 29.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.971 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 44.4 m -100.5 30.43 3.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.971 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.361 -1.244 . . . . 0.0 112.448 -179.873 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.235 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.96 104.74 1.56 Allowed 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.541 2.161 . . . . 0.0 112.261 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.2 mp -65.69 -62.84 1.29 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.956 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 103.08 30.13 5.52 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.9 m 60.29 34.76 20.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.729 0.299 . . . . 0.0 110.843 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 38.5 mtm180 -73.73 -39.79 64.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.793 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 28.5 m -66.54 -38.35 81.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.234 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -65.97 -40.83 91.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.0 -46.21 75.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -58.84 -43.14 90.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -61.58 -48.14 82.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.08 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 23.0 mt -59.98 -32.95 71.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.951 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.08 -46.39 89.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -64.31 -47.95 77.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.978 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.426 ' HG ' ' CG ' ' A' ' 169' ' ' TYR . 1.0 OUTLIER -67.97 -40.16 83.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.995 -179.859 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.82 -36.58 75.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.224 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -75.07 -39.06 61.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.063 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -62.11 -49.11 77.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.139 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 44.5 m95 -65.94 -35.42 80.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.951 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -55.91 -44.97 78.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.13 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 82.8 mt -60.9 -30.64 70.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.728 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -72.4 -41.59 66.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.799 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 141.63 -12.4 2.69 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.781 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.4 m -98.83 -163.34 1.03 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.725 0.262 . . . . 0.0 111.035 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.3 m -156.37 130.37 8.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.892 0.377 . . . . 0.0 110.894 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.0 tt -62.96 123.95 19.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.835 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -124.39 132.1 53.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.975 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.1 mp -101.77 92.25 2.78 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.108 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.18 169.62 14.88 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.534 2.156 . . . . 0.0 112.275 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.5 t -110.96 121.5 63.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.185 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.3 t -106.87 120.93 58.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 60.93 36.97 18.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.821 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.98 30.52 18.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.841 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 19.0 tttm -145.25 151.12 37.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.961 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 26.1 mt -74.83 125.19 34.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.33 125.83 32.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.019 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -59.67 156.23 14.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.795 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.31 -66.1 1.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.037 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -55.9 -51.2 68.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.47 -38.0 82.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.199 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 26.4 tp -62.53 -37.11 84.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.067 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 9.4 t -66.72 -38.79 87.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.072 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -67.63 -41.58 83.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 12.7 mt -58.84 -43.49 88.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.37 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 17.4 t -58.91 -50.04 80.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.713 0.292 . . . . 0.0 111.073 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.06 -46.91 82.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.406 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 38.2 p -56.79 -21.05 25.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.574 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 40.2 mmtt -88.43 -40.62 13.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.926 0.393 . . . . 0.0 110.853 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 155.55 42.72 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.504 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 82.88 -65.75 4.07 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.597 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -179.61 -57.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.823 0.344 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -56.93 -31.18 64.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.999 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 37.9 tpp -66.26 -36.82 83.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.411 HG12 ' CD2' ' A' ' 139' ' ' TRP . 18.7 t -66.97 -41.8 87.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.159 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 5.3 m -69.73 -44.44 70.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.993 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 13.5 mmtp -61.64 -37.79 85.32 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.04 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -92.8 -12.87 30.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.291 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 5.4 tttt 65.65 36.28 6.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.76 0.314 . . . . 0.0 110.802 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -81.88 -1.18 46.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.421 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.427 ' CE2' ' HG2' ' A' ' 159' ' ' LYS . 88.3 m95 -58.54 -34.88 71.5 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.845 0.355 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 68.9 m -60.62 -35.63 76.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -72.08 -33.91 68.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.6 -47.16 92.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -64.09 -39.12 96.89 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.449 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 37.4 m -59.42 -40.5 86.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.876 0.369 . . . . 0.0 110.996 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 30.3 mtt85 -62.71 -31.14 72.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 7.8 mt -79.53 -55.67 4.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.967 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 157.2 50.73 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.476 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -112.4 146.02 39.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.747 0.308 . . . . 0.0 110.968 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 8.5 mt -109.07 137.78 20.23 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.87 115.72 2.53 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.552 2.168 . . . . 0.0 112.318 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -135.86 -126.26 2.56 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.457 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -80.28 -28.87 38.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.811 0.339 . . . . 0.0 110.936 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 169.71 -87.59 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.583 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 10.0 m 72.48 4.62 5.05 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 111.574 0.212 . . . . 0.0 111.574 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -75.26 -42.08 29.39 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.514 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 18.1 m -63.88 -35.85 81.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.704 0.288 . . . . 0.0 110.934 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 3.6 mp -63.95 -46.01 86.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 79.7 mt -67.36 -40.67 85.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.957 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . 0.427 ' HG2' ' CE2' ' A' ' 139' ' ' TRP . 0.0 OUTLIER -70.38 -43.79 69.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 41.8 m -66.96 -42.25 85.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.056 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -63.89 -37.26 86.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.219 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -73.06 -41.33 64.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -99.12 73.15 1.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.018 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 1.2 ttt85 -167.81 -40.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.188 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 1.5 mp -126.58 -36.72 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.68 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.33 -62.02 1.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.348 . . . . 0.0 111.54 -179.404 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . 0.539 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 2.0 t80 -50.16 -55.04 27.59 Favored Pre-proline 0 C--N 1.329 -0.298 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -179.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 10.4 Cg_endo -54.67 -25.96 44.33 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.308 2.005 . . . . 0.0 112.75 -179.466 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . 0.426 ' CG ' ' HG ' ' A' ' 94' ' ' LEU . 25.4 t80 -60.13 -53.22 60.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.876 0.37 . . . . 0.0 110.805 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -58.58 -50.15 74.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.966 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 17.3 mt -57.81 -34.48 69.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.995 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -59.1 -38.43 79.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -84.79 -42.71 14.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.018 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 12.8 m -97.9 31.2 2.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.032 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.087 0 CA-C-O 118.324 -1.265 . . . . 0.0 112.428 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.202 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.13 -28.2 19.17 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.564 2.176 . . . . 0.0 112.329 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.0 mt -103.14 105.94 16.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 170.34 -105.97 0.23 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.56 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -99.03 77.67 2.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.895 0.379 . . . . 0.0 110.824 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -68.75 -39.55 80.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 14.0 m -59.19 -35.79 59.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.181 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.6 mtt180 -67.08 -49.77 63.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.4 mp -65.43 -43.71 89.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.8 -43.12 85.44 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -60.28 -50.08 75.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.932 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.8 mt -60.46 -32.81 71.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.023 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.83 -47.12 87.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.992 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -64.47 -36.37 83.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.96 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.428 HD13 ' CD2' ' A' ' 169' ' ' TYR . 2.7 tp -62.71 -51.1 68.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.086 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.2 -44.74 68.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.476 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -65.07 -45.05 86.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.31 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -59.26 -49.09 79.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.147 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.418 ' CD1' HD13 ' A' ' 105' ' ' LEU . 38.1 m95 -66.04 -32.94 74.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.934 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -55.76 -37.93 69.17 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.083 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.97 -36.95 75.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -68.95 -43.03 75.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 112.02 23.5 5.52 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.53 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.7 -28.29 14.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.788 0.328 . . . . 0.0 110.956 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 7.8 m 65.3 99.73 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.849 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.418 HD13 ' CD1' ' A' ' 98' ' ' TRP . 0.3 OUTLIER -68.0 122.75 18.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.064 -179.892 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -128.03 109.87 11.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.704 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 2.6 mp -57.94 108.79 1.4 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.318 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -71.98 142.21 38.17 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.363 2.042 . . . . 0.0 112.349 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 t -93.67 128.94 44.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.98 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 20.3 t -129.1 127.97 66.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.13 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 59.58 35.57 22.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 25.0 mtt180 61.27 31.09 19.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.65 153.91 38.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.883 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 31.0 mm -71.66 133.99 30.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.064 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.7 tt -88.56 108.56 19.48 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.959 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -59.67 145.77 43.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.857 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 90.3 mt -106.66 -57.18 2.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.928 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -54.88 -51.19 66.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.991 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -58.34 -46.82 85.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.39 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 58.4 tp -64.45 -41.95 96.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.177 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.0 t -58.02 -37.73 74.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.136 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 15.5 mtpt -68.04 -43.46 78.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.16 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 54.3 mt -58.79 -43.64 88.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.491 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.452 ' CG2' ' CE2' ' A' ' 162' ' ' TYR . 21.4 t -58.19 -50.16 79.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.297 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.32 -47.09 86.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 19.3 p -57.79 -20.97 39.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.476 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 6.4 mttp -87.2 -33.48 19.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.99 0.424 . . . . 0.0 110.882 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 146.27 41.83 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.528 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 84.55 -66.03 3.96 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.744 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.423 ' CZ ' ' HD3' ' A' ' 159' ' ' LYS . 10.3 t80 -177.48 -55.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.868 0.366 . . . . 0.0 111.042 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -56.78 -31.38 64.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.097 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.9 mtp -64.35 -38.24 90.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.425 HG12 ' CD2' ' A' ' 139' ' ' TRP . 22.0 t -66.97 -43.52 89.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.88 -42.22 73.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.984 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -61.79 -30.67 70.96 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.05 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -103.75 -3.84 24.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.405 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 8.2 tttp 61.57 36.1 17.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.853 0.359 . . . . 0.0 110.755 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 15.2 mmtt -76.48 -9.86 58.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.434 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.425 ' CD2' HG12 ' A' ' 133' ' ' VAL . 86.5 m95 -53.98 -35.99 62.43 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.893 0.378 . . . . 0.0 111.003 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 19.6 m -66.94 -33.06 74.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.741 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.97 -32.36 67.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 22.9 t -61.91 -46.9 95.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.104 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -61.96 -43.64 98.9 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.58 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 58.5 m -58.94 -39.79 82.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.817 0.342 . . . . 0.0 110.962 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -72.0 -34.09 68.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.019 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.15 -29.36 67.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.973 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 114.36 20.47 5.87 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.733 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -78.39 123.13 26.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.72 0.295 . . . . 0.0 110.802 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 54.8 mt -56.67 148.84 44.55 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.018 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -69.1 136.54 35.02 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.573 2.182 . . . . 0.0 112.339 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 172.43 -169.71 42.81 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.432 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -74.39 155.41 38.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.747 0.308 . . . . 0.0 110.938 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 61.82 -122.41 28.72 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.465 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 24.9 m 67.42 -70.06 0.12 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.646 0.26 . . . . 0.0 110.957 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -63.51 -36.03 92.82 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.502 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 12.2 m -67.37 -40.34 85.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.786 0.327 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 8.1 mp -70.45 -36.8 74.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 11.4 mt -62.77 -38.01 88.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.81 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . 0.423 ' HD3' ' CZ ' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -67.71 -41.77 83.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 16.5 m -67.05 -45.89 76.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 -64.08 -47.65 79.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.831 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . 0.452 ' CE2' ' CG2' ' A' ' 124' ' ' VAL . 14.6 t80 -59.28 -41.77 89.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -94.31 43.85 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.815 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.1 -42.75 1.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 1.8 mp -134.13 -44.54 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.268 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 1.8 tt -63.13 -65.36 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.51 -179.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . 0.545 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 3.6 t80 -55.08 -55.05 43.42 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.886 -179.403 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 10.5 Cg_endo -54.87 -25.74 44.97 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.334 2.023 . . . . 0.0 112.635 -179.355 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . 0.428 ' CD2' HD13 ' A' ' 94' ' ' LEU . 49.0 t80 -56.86 -53.14 61.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.895 0.378 . . . . 0.0 110.83 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -56.86 -50.14 73.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.974 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 13.4 mt -55.96 -38.63 70.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.112 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -58.71 -37.64 76.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.959 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -85.14 -42.67 14.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.982 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 58.4 m -97.72 31.02 2.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.06 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.372 -1.238 . . . . 0.0 112.541 179.883 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.208 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.3 -20.64 32.03 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.687 2.258 . . . . 0.0 112.418 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.0 mt -104.89 47.57 0.87 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.95 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -130.97 57.62 0.72 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.513 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 84.3 p -138.66 21.72 2.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.715 0.293 . . . . 0.0 111.063 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.99 -51.03 14.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.906 0.384 . . . . 0.0 110.841 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 30.5 m -66.87 -39.56 83.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.6 -44.08 97.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.963 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.82 -43.64 92.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -57.94 -42.99 86.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.086 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -63.03 -43.08 99.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.8 tp -60.14 -32.85 71.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.75 -45.6 81.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.026 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -71.41 -33.25 69.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.436 ' HA ' ' CE2' ' A' ' 169' ' ' TYR . 11.6 tp -66.91 -51.07 59.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.96 -37.01 75.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.324 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp -67.08 -40.99 87.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -64.65 -49.14 72.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.147 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 64.0 m95 -65.81 -34.2 77.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.103 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -56.03 -42.38 76.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.057 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 38.3 mt -59.24 -39.0 81.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.825 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.14 -44.81 94.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.808 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 114.88 23.19 4.72 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.334 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.79 -21.1 12.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.668 0.27 . . . . 0.0 111.019 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 60.41 126.71 0.01 OUTLIER 'General case' 0 N--CA 1.456 -0.162 0 CA-C-O 121.0 0.429 . . . . 0.0 111.101 179.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 6.2 tt -83.31 132.79 35.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.999 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -123.81 132.26 53.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.746 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 18.8 mt -96.75 100.22 6.94 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.238 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -71.92 173.08 13.34 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.533 2.156 . . . . 0.0 112.356 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 t -125.0 111.64 28.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.97 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.2 t -106.91 131.16 57.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.195 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 60.72 35.42 19.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.809 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.9 33.11 21.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.808 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -156.12 163.59 39.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.942 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 4.5 mt -73.67 127.03 35.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -82.92 131.66 35.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -64.24 168.85 5.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 10.7 mt -141.3 -58.88 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -58.86 -51.29 70.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.766 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.76 -39.21 93.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.348 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 50.6 tp -63.49 -41.62 98.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.104 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.9 t -57.92 -40.43 80.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.032 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -67.97 -43.94 77.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.998 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 12.7 mt -58.85 -42.7 86.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.305 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 19.9 t -58.67 -50.09 80.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.204 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.61 -44.43 85.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.239 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 20.0 p -56.84 -27.52 60.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.183 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 24.3 mmtt -82.73 -26.97 31.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.806 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 157.64 -24.85 0.43 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.694 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 140.98 -57.94 0.58 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.421 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.425 ' HB2' ' CZ ' ' A' ' 167' ' ' TYR . 51.6 t80 -178.51 -56.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.895 0.379 . . . . 0.0 110.892 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -65.26 -39.94 93.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 9.8 tpt -60.94 -33.45 73.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.424 HG12 ' CE2' ' A' ' 139' ' ' TRP . 13.7 t -67.0 -39.86 84.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.09 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.12 -46.07 75.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.953 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -61.87 -37.97 86.55 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.0 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -85.94 -21.52 27.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.101 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 8.5 tttp 65.49 37.65 5.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.839 0.352 . . . . 0.0 110.85 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 22.5 mtpp -89.88 9.66 26.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.322 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.424 ' CE2' HG12 ' A' ' 133' ' ' VAL . 89.8 m95 -65.69 -35.25 80.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.803 0.335 . . . . 0.0 110.741 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.1 m -63.05 -34.22 77.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.774 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.85 -37.31 70.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.73 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 24.5 t -59.85 -44.04 93.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.126 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -64.29 -41.86 98.05 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 9.6 m -60.13 -35.96 76.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.774 0.321 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 20.7 mtt85 -64.44 -32.38 73.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.53 -70.65 0.41 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 163.02 42.2 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.564 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -105.85 125.12 50.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.85 0.357 . . . . 0.0 110.826 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.5 mp -69.53 142.39 91.73 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.09 168.41 0.54 Allowed 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.513 2.142 . . . . 0.0 112.223 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 158.7 -162.96 32.86 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.515 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -100.8 127.03 47.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.836 0.35 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 68.57 92.31 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.524 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 6.0 m -140.72 -56.38 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.805 0.336 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -59.0 -34.31 78.35 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.483 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 1.2 m -73.14 -31.29 64.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.756 0.312 . . . . 0.0 110.842 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -69.07 -39.93 78.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.849 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 13.1 mt -67.49 -35.49 79.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . 0.416 ' HG2' ' CZ2' ' A' ' 139' ' ' TRP . 0.1 OUTLIER -66.19 -42.95 88.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 4.3 m -66.93 -44.26 81.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 -69.47 -44.3 71.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -58.92 -48.52 81.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -91.11 62.39 4.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.827 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.21 -51.14 0.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.021 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 2.1 mp -127.22 -1.21 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.774 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -116.78 -58.91 2.02 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.83 0.348 . . . . 0.0 111.131 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . 0.451 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 2.7 t80 -59.82 -48.86 94.05 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.22 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' PRO . . . . . 0.451 ' CD ' ' N ' ' A' ' 167' ' ' TYR . 38.7 Cg_exo -60.14 -25.86 81.02 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.353 2.035 . . . . 0.0 112.36 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . 0.436 ' CE2' ' HA ' ' A' ' 94' ' ' LEU . 51.8 t80 -56.56 -53.28 59.45 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 120.785 0.326 . . . . 0.0 110.825 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -56.88 -50.12 73.46 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.03 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 2.1 mt -58.15 -33.88 69.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -64.66 -32.95 74.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -67.39 -44.14 79.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 1.9 m 178.56 39.5 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.81 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.376 -1.235 . . . . 0.0 112.528 -179.962 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.179 0 N-CA-C 112.558 -0.217 . . . . 0.0 112.558 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -78.86 1.52 9.06 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.59 2.193 . . . . 0.0 112.895 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.1 mp -107.27 120.25 41.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.822 0.344 . . . . 0.0 110.971 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 124.76 -77.24 0.38 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.613 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.8 m -77.6 -47.22 19.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.795 0.331 . . . . 0.0 111.135 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -57.93 -46.04 85.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.025 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.1 m -62.65 -40.42 88.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.096 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 -61.61 -50.04 74.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.8 mp -66.57 -42.68 86.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -57.86 -41.77 83.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -58.19 -50.03 74.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.079 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.5 mp -65.14 -33.11 75.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.969 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -63.71 -39.03 93.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -66.85 -47.97 70.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.938 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 26.0 tp -57.28 -44.43 84.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.982 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.404 ' HA ' ' CB ' ' A' ' 105' ' ' LEU . . . -70.0 -37.72 75.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.462 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -74.91 -33.16 61.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.233 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -65.01 -49.55 69.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.211 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 68.4 m95 -66.43 -32.72 74.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.97 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -55.59 -43.12 75.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.912 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.38 -31.19 71.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.58 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 57.0 mm-40 -69.78 -37.87 76.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.82 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 118.42 20.09 4.42 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.483 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.2 t -100.28 -154.53 0.48 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.556 0.217 . . . . 0.0 110.689 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.4 t -154.82 94.5 1.67 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.832 0.349 . . . . 0.0 110.642 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.411 ' CD2' ' CG2' ' A' ' 165' ' ' ILE . 0.3 OUTLIER -62.95 113.6 3.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 -179.89 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.23 119.58 25.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.741 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.44 HG22 HD13 ' A' ' 107' ' ' ILE . 32.5 mt -71.02 111.71 10.85 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.185 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -78.97 162.14 26.48 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.415 2.077 . . . . 0.0 112.372 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 t -112.37 118.0 56.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.971 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.4 t -107.68 125.71 64.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.301 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 58.55 39.74 24.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.985 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 43.4 mtm-85 59.28 30.3 20.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.6 mmtm -144.66 157.66 44.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.946 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 31.0 mt -77.93 133.37 30.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.101 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 7.2 tt -94.94 128.56 41.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -77.47 153.77 33.19 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.801 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 5.6 mp -108.64 -58.32 2.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.906 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -55.5 -51.15 67.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -58.48 -45.59 88.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.316 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 35.7 tp -63.81 -38.44 91.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.161 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.9 t -59.31 -40.99 88.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.137 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 9.0 mtmp? -67.97 -40.09 83.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.186 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 27.9 mt -58.68 -42.23 84.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.471 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.426 HG21 ' CE2' ' A' ' 162' ' ' TYR . 19.1 t -59.72 -50.32 80.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.145 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.3 -44.47 94.91 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 83.7 p -56.83 -24.63 52.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.224 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.84 -23.58 33.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.864 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 149.28 -20.4 1.21 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.571 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 148.31 -63.77 0.42 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.331 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.4 ' CZ ' ' HG3' ' A' ' 163' ' ' GLU . 55.3 t80 179.36 -60.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.774 0.321 . . . . 0.0 110.762 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.95 -39.04 80.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.965 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -36.98 80.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.909 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.421 HG12 ' CD1' ' A' ' 139' ' ' TRP . 18.9 t -63.82 -41.93 94.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.136 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 6.8 m -69.91 -43.45 71.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -61.76 -36.68 81.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.959 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -89.87 -11.9 40.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.241 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 8.7 mtpt 63.51 31.87 14.57 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.831 0.348 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -79.29 -5.24 53.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.316 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.423 ' CE2' ' HG3' ' A' ' 159' ' ' LYS . 95.1 m95 -56.31 -31.97 64.18 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.725 0.298 . . . . 0.0 110.896 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 37.2 m -61.6 -39.05 89.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.818 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -71.87 -31.35 66.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.816 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 28.4 t -59.64 -45.86 93.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.1 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -68.66 -37.38 84.67 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.579 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 67.9 m -66.05 -36.03 82.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.825 0.345 . . . . 0.0 110.854 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 68.5 mtt180 -64.17 -31.51 72.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 5.7 mt -67.45 -69.21 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 155.55 55.33 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.507 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -104.67 159.32 15.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.816 0.341 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 75.1 mt -78.07 156.87 79.2 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.38 114.39 3.44 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.53 2.153 . . . . 0.0 112.208 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -136.67 -149.72 5.71 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.512 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 19.1 mtpt -105.77 -62.87 1.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.357 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -112.93 133.01 11.05 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.557 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 1.4 m -151.42 -46.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.337 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -58.48 -38.21 90.37 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.532 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 68.0 m -67.91 -31.51 71.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.793 0.33 . . . . 0.0 110.814 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 7.3 mp -70.87 -45.85 63.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 15.0 mt -63.78 -33.65 76.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . 0.423 ' HG3' ' CE2' ' A' ' 139' ' ' TRP . 0.1 OUTLIER -62.94 -40.7 98.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 45.3 m -64.49 -45.95 85.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.96 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -67.2 -45.71 76.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.948 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . 0.426 ' CE2' HG21 ' A' ' 124' ' ' VAL . 56.2 t80 -59.31 -47.22 86.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.818 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.4 ' HG3' ' CZ ' ' A' ' 130' ' ' PHE . 0.5 OUTLIER -89.81 53.94 2.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.69 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -151.66 -43.34 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.093 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.411 ' CG2' ' CD2' ' A' ' 105' ' ' LEU . 3.2 mt -127.72 -35.93 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.687 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.4 -67.56 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.656 -179.431 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . 0.457 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 1.7 t80 -46.03 -47.03 43.14 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.294 -0.412 . . . . 0.0 112.05 -179.24 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' PRO . . . . . 0.457 ' CD ' ' N ' ' A' ' 167' ' ' TYR . 51.3 Cg_exo -54.55 -36.99 90.42 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.396 2.064 . . . . 0.0 112.505 -179.532 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -56.86 -53.08 61.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.973 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -58.48 -50.26 74.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.073 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 51.5 mt -60.5 -34.86 74.68 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -58.39 -38.45 77.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.943 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -84.95 -41.98 15.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.058 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 60.1 m -97.99 30.88 2.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.047 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.293 -1.282 . . . . 0.0 112.5 179.961 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.36 94.32 0.67 Allowed 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.601 2.2 . . . . 0.0 112.257 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.1 mt -109.27 77.01 1.03 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.823 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.87 -30.45 75.23 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.13 72.38 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.882 0.372 . . . . 0.0 110.95 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.09 -51.01 14.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.993 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 31.3 m -65.1 -37.91 81.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.272 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.97 -45.41 85.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.965 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.7 mt -59.49 -46.04 89.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.96 -42.89 85.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.063 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -58.5 -44.41 89.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.009 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.93 -33.12 71.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.03 -41.74 86.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.911 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -67.17 -43.5 82.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.045 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 12.8 tp -61.16 -47.14 87.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.116 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.06 -36.67 75.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.377 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -75.03 -44.97 44.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.234 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -61.39 -49.09 78.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.054 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 40.1 m95 -66.0 -32.79 74.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.027 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.63 -40.65 72.46 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.018 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 37.6 mt -62.81 -29.58 70.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.704 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -72.9 -39.38 66.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.941 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 108.08 23.27 6.8 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.592 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.85 -30.02 7.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.698 0.285 . . . . 0.0 110.962 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.7 m 64.3 130.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.845 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.3 tt -64.03 134.31 54.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -128.08 109.97 12.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.721 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 2.1 mp -68.43 111.42 8.0 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.166 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.43 145.83 30.46 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.424 2.083 . . . . 0.0 112.382 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 t -112.06 115.25 49.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.004 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.3 t -115.41 133.95 60.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.217 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 59.14 35.4 23.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.009 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? 59.33 30.63 20.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.003 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.71 147.04 29.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 33.3 mm -69.87 130.25 34.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.99 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.4 tt -95.57 127.91 42.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -59.32 174.25 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 10.1 mt -128.66 -64.33 0.93 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.989 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -55.55 -51.03 68.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.807 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -57.7 -40.49 79.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.195 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.401 HD13 ' CE1' ' A' ' 162' ' ' TYR . 0.2 OUTLIER -69.12 -44.48 72.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.982 -179.926 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.9 t -57.93 -35.08 70.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.062 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.4 mtmp? -68.07 -44.96 75.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.951 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 41.6 mt -58.95 -41.06 82.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.204 -179.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 17.9 t -59.24 -50.23 80.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.154 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.91 -47.02 87.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.204 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 24.9 p -56.95 -22.25 36.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.449 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.45 -34.99 18.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.832 0.349 . . . . 0.0 110.987 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 150.34 43.01 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.554 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 81.49 -65.62 3.98 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.593 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.497 ' CE2' ' CZ2' ' A' ' 139' ' ' TRP . 54.4 t80 -179.06 -54.02 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.908 0.385 . . . . 0.0 110.884 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -56.8 -37.08 70.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.025 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 8.9 tpp -63.04 -33.95 76.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 27.2 t -66.97 -50.03 68.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.101 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.5 m -66.51 -34.32 77.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.978 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.76 -31.72 71.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.162 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -112.26 8.53 19.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.487 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 14.9 mttm 55.17 32.4 18.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.875 0.369 . . . . 0.0 110.975 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -68.49 -13.19 62.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.396 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.497 ' CZ2' ' CE2' ' A' ' 130' ' ' PHE . 93.5 m95 -53.81 -36.88 62.97 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.868 0.366 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 67.7 m -61.61 -38.16 86.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 8.6 mtpp -72.03 -31.97 66.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.83 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 33.4 t -62.73 -49.05 85.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -67.67 -38.26 89.83 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.555 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 14.3 m -60.19 -40.18 89.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.787 0.327 . . . . 0.0 110.934 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.46 -31.25 71.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.5 mt -69.91 -65.26 0.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.793 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 163.89 43.54 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.461 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -108.95 138.07 45.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.738 0.304 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.4 mp -85.23 148.14 49.3 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.4 120.6 7.64 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.614 2.209 . . . . 0.0 112.174 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -178.36 127.72 1.2 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.578 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 9.9 mttp -68.61 131.64 45.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.864 0.364 . . . . 0.0 110.816 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 107.5 30.24 4.16 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.487 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 9.8 m -130.03 -45.48 1.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.771 0.319 . . . . 0.0 110.968 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -57.88 -38.91 90.63 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.589 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 66.1 m -63.11 -31.65 72.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.84 0.353 . . . . 0.0 110.919 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 10.5 mp -71.1 -35.1 71.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 22.2 mt -69.95 -39.47 76.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . 0.426 ' HD2' ' CD1' ' A' ' 139' ' ' TRP . 1.3 mtpm? -67.45 -43.9 79.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.791 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 14.1 m -64.57 -46.13 84.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 57.2 m-70 -67.69 -44.27 78.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.95 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . 0.401 ' CE1' HD13 ' A' ' 120' ' ' LEU . 65.8 t80 -59.67 -48.98 79.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -87.66 68.38 9.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.884 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 18.3 mtt-85 -163.22 -44.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 2.4 mp -131.46 7.22 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.637 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 3.6 mt -120.47 -70.35 0.79 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.799 0.333 . . . . 0.0 111.117 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . 0.478 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 3.1 t80 -53.93 -46.67 98.48 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.513 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 167' ' ' TYR . 52.4 Cg_exo -54.74 -33.42 80.38 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.304 2.003 . . . . 0.0 112.407 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -56.85 -53.21 60.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.02 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.25 -50.25 74.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.94 0.4 . . . . 0.0 110.949 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 48.4 mt -59.96 -38.49 82.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -57.58 -34.07 68.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.066 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -84.1 -43.93 14.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 13.0 m -98.08 30.98 2.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.948 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.469 -1.184 . . . . 0.0 112.421 -179.964 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.213 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.08 85.42 0.81 Allowed 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.529 2.153 . . . . 0.0 112.282 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.2 mp -142.07 97.67 3.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.841 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.0 -28.44 8.8 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.499 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 39.6 t -126.95 34.05 4.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.792 0.33 . . . . 0.0 110.924 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.01 -51.18 14.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.964 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 13.4 m -67.38 -34.95 72.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.203 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -62.45 -49.94 73.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.972 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.4 -46.12 87.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.005 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -57.8 -37.67 74.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -58.6 -45.45 89.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.8 mp -60.01 -33.03 71.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.995 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.12 -45.04 82.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.014 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -61.41 -47.86 83.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.93 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.49 -44.46 97.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.989 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.13 -45.36 67.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.389 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -69.78 -42.84 73.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.16 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -62.16 -48.96 77.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.157 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 28.7 m95 -64.39 -38.33 90.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.959 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -56.02 -40.16 73.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.047 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 96.4 mt -58.99 -30.8 68.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.747 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -75.85 -45.91 33.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.713 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.63 -15.76 1.24 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.74 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.2 t -93.65 -160.17 0.74 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.729 0.299 . . . . 0.0 110.723 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -159.92 136.93 9.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.875 0.369 . . . . 0.0 110.893 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 18.0 tp -62.99 114.15 3.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.623 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.0 tptt -113.55 132.32 55.76 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.053 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.405 ' O ' ' CG2' ' A' ' 107' ' ' ILE . 12.9 tt -116.76 80.43 10.81 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.004 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.27 165.81 8.44 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.696 2.264 . . . . 0.0 112.275 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.8 t -110.68 113.81 45.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.897 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 22.0 t -107.21 129.71 60.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.336 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 59.73 37.7 22.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.065 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.07 30.5 19.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.879 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.0 tttm -142.6 145.4 33.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 4.5 mt -79.23 139.75 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.146 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -96.99 129.4 44.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.018 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -83.91 175.09 9.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -124.69 -60.22 1.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.084 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -55.61 -51.06 68.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.968 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.03 -44.52 96.54 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.378 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 57.9 tp -61.6 -46.21 90.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.058 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 17.1 t -57.91 -35.0 70.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 14.4 mttp -66.56 -43.61 84.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.087 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 67.9 mt -58.85 -47.33 89.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.202 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.7 t -58.91 -50.15 80.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.21 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.51 -47.1 82.88 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.317 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.68 -26.13 55.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.168 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.36 -27.03 29.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.902 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 158.1 -25.24 0.41 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.554 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 137.81 -55.44 0.68 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.434 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -178.49 -61.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.851 0.357 . . . . 0.0 110.904 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -61.51 -39.64 91.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.967 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.97 -35.98 78.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.784 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 20.1 t -67.02 -43.38 89.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.195 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 7.5 m -63.86 -46.06 86.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 3.5 mtmm -61.78 -37.84 85.81 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -86.36 -15.17 41.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.286 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 2.6 mttm 65.13 37.25 6.75 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.883 0.373 . . . . 0.0 110.852 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -90.78 11.05 23.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.264 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 62.7 m95 -67.09 -37.22 83.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.829 0.347 . . . . 0.0 110.836 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.24 -35.94 81.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -67.59 -35.84 79.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.74 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 25.3 t -58.92 -47.95 88.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.085 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -68.87 -33.77 75.85 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.533 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 32.2 m -59.45 -36.11 75.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.93 0.395 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -67.63 -31.96 72.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 30.1 mt -72.2 -66.06 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 153.26 56.43 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.422 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -111.18 145.15 39.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.81 0.338 . . . . 0.0 110.915 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 12.6 mt -88.92 154.03 49.73 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.948 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.34 150.75 84.41 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.601 2.201 . . . . 0.0 112.268 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 169.26 -165.16 38.66 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.576 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 18.5 mttm -88.81 88.11 7.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.754 0.311 . . . . 0.0 110.946 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 133.24 -117.23 1.88 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.501 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 68.9 m 65.9 -72.91 0.07 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.702 0.287 . . . . 0.0 111.049 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -62.22 -39.29 97.5 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.444 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 10.4 m -68.71 -37.68 79.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.822 0.344 . . . . 0.0 110.83 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 22.6 mt -66.91 -42.69 84.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 6.9 mt -61.31 -38.86 88.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.8 -42.72 99.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.793 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 31.1 m -67.11 -44.37 80.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -63.92 -41.6 97.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.736 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . 0.492 ' CE2' ' CD1' ' A' ' 167' ' ' TYR . 37.5 t80 -60.03 -49.06 79.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.794 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -94.25 71.72 3.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.639 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.25 -42.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 1.7 mp -131.44 -42.62 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.782 0.325 . . . . 0.0 111.727 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . 0.423 HD22 ' CD1' ' A' ' 162' ' ' TYR . 37.0 tp -77.41 -73.35 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.764 -179.27 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . 0.557 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 1.4 t80 -43.89 -54.39 11.05 Favored Pre-proline 0 CA--C 1.534 0.34 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -179.264 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' PRO . . . . . 0.557 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 10.5 Cg_endo -54.68 -25.67 43.09 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.329 2.02 . . . . 0.0 112.709 -179.578 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -56.79 -53.16 61.08 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.825 0.345 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -57.61 -49.99 74.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.2 mt -54.95 -37.31 66.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.204 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -58.8 -39.75 82.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -84.7 -42.0 15.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.949 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 21.8 m -98.22 31.1 2.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.009 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.354 -1.248 . . . . 0.0 112.432 179.99 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.151 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -71.91 62.18 3.14 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.596 2.197 . . . . 0.0 112.29 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 31.6 mt -119.72 117.23 27.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -134.07 -44.96 0.11 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.508 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.2 m -130.67 116.3 17.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.799 0.333 . . . . 0.0 110.846 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -71.92 -40.73 68.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 9.6 m -67.96 -35.1 70.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.156 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 50.0 ttt-85 -66.97 -45.04 78.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.9 mp -64.51 -40.12 95.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.828 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -57.73 -43.17 85.11 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.07 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -58.73 -47.89 83.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.33 -33.02 71.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.11 -46.94 84.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.058 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -63.31 -44.96 93.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 50.2 tp -62.68 -48.12 80.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.959 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.11 -43.09 71.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.28 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -64.86 -44.88 88.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.208 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -58.7 -49.17 78.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.164 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 39.2 m95 -65.94 -34.29 77.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.957 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.83 -44.2 77.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.083 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.4 mp -59.36 -31.99 69.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.95 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -69.41 -41.15 76.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 109.85 24.18 5.89 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.524 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.2 m -99.17 -29.48 12.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.774 0.321 . . . . 0.0 110.968 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 10.3 m 66.16 100.41 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.848 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.22 126.87 30.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.068 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 34.0 mtpt -127.88 109.99 12.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.707 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 36.5 mm -62.35 110.72 3.61 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.074 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -80.02 179.4 6.25 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.449 2.099 . . . . 0.0 112.365 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 29.9 t -125.04 149.04 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.889 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 13.3 t -128.22 112.06 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.839 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 74.03 -49.41 0.68 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.156 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 179.89 -26.59 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.484 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.24 171.85 7.24 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.873 0.368 . . . . 0.0 111.004 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 3.2 mp -91.08 133.82 31.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.035 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.5 tt -74.77 128.84 36.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -58.8 174.45 0.34 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.804 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.2 mp -133.53 -68.67 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.06 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -59.09 -51.21 71.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.965 0.412 . . . . 0.0 110.674 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.96 -30.69 71.69 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.307 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.11 -49.01 60.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.134 -179.723 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 44.9 t -60.52 -34.86 74.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.122 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 3.3 mmtm -64.26 -46.59 83.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 26.8 mt -58.84 -48.89 84.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.46 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 17.0 t -59.05 -50.18 80.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.813 0.34 . . . . 0.0 111.213 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.56 -43.68 93.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.306 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 58.1 p -56.79 -26.82 58.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -83.78 -25.11 30.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.919 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 154.57 -24.32 0.65 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.567 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 140.98 -56.62 0.6 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.459 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.409 ' CZ ' ' HD3' ' A' ' 159' ' ' LYS . 37.0 t80 -179.78 -56.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.795 0.331 . . . . 0.0 110.837 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -60.47 -39.74 88.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.3 tpp -60.89 -35.3 76.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.409 HG11 ' CD2' ' A' ' 139' ' ' TRP . 26.1 t -66.79 -42.53 89.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.006 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 6.8 m -65.27 -37.98 88.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 4.8 mmtp -61.73 -38.15 86.85 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.96 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -92.47 -18.25 23.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.078 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.17 38.37 3.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.82 0.343 . . . . 0.0 110.868 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -92.72 12.6 22.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.202 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.409 ' CD2' HG11 ' A' ' 133' ' ' VAL . 68.4 m95 -67.15 -35.09 78.95 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.802 0.334 . . . . 0.0 110.738 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 9.2 m -65.85 -34.56 78.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 13.0 mtpt -71.1 -33.71 70.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.823 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 24.8 t -61.68 -49.08 85.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.0 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -67.78 -42.9 85.87 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.439 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 14.9 m -60.17 -36.04 76.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.783 0.325 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.46 -34.1 76.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 6.2 mp -68.51 -49.14 61.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 149.43 50.14 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.361 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -105.6 136.65 44.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.84 154.49 85.7 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -72.29 103.92 1.6 Allowed 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.56 2.174 . . . . 0.0 112.371 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -138.65 -168.24 11.21 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.497 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -85.92 -74.54 0.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.753 0.311 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -82.53 123.2 5.99 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.485 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 1.1 m -161.44 -44.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.836 0.35 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -59.18 -36.08 87.14 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.477 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 6.3 m -67.75 -35.99 79.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.786 0.327 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 4.3 mt -64.93 -41.0 95.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 5.0 mt -71.78 -44.46 63.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.923 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . 0.409 ' HD3' ' CZ ' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -61.62 -42.02 98.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.882 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 50.7 m -66.85 -46.06 76.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 36.5 m-70 -65.86 -48.07 72.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -60.04 -49.05 79.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -92.53 62.99 4.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.799 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.58 -44.07 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.025 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 2.4 mp -130.02 -42.66 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.343 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.34 -67.08 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.341 -179.635 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . 0.569 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 3.0 t80 -45.92 -52.91 23.5 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.299 -0.409 . . . . 0.0 112.071 -179.571 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' PRO . . . . . 0.569 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 10.4 Cg_endo -54.61 -25.8 43.09 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.318 2.012 . . . . 0.0 112.63 -179.506 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -56.87 -53.12 61.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.875 0.369 . . . . 0.0 110.801 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.18 -50.03 75.57 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.791 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 3.0 mt -56.41 -36.16 68.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -59.14 -38.08 78.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.805 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -81.35 -43.99 18.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.958 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 7.9 m -98.05 30.57 3.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.975 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.374 -1.237 . . . . 0.0 112.591 -179.997 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 18.2 m . . . . . 0 N--CA 1.457 -0.108 0 CA-C-O 120.876 0.37 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 73.5 mtt180 -59.71 -46.81 87.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 15.5 mt -65.93 -45.57 81.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.9 -42.97 85.8 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.009 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.475 ' HE1' HD11 ' A' ' 166' ' ' LEU . 33.2 t80 -62.43 -48.8 78.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.919 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.787 HD21 HD22 ' A' ' 117' ' ' LEU . 16.9 mt -60.03 -32.95 71.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -61.08 -39.6 90.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.985 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -69.98 -45.62 66.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.968 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.553 HD23 HD11 ' A' ' 105' ' ' LEU . 28.7 tp -66.1 -43.06 88.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.71 ' HB2' HD22 ' A' ' 105' ' ' LEU . . . -68.74 -37.84 79.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.224 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.05 -44.32 48.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.121 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -60.31 -49.32 78.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.039 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 36.9 m95 -66.28 -35.0 79.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.977 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -55.83 -37.72 69.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.101 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 69.7 mt -59.25 -31.63 69.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.812 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -75.59 -44.73 41.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.817 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 113.75 22.9 5.21 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.526 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.79 -26.08 15.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.784 0.326 . . . . 0.0 111.064 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 31.6 m 64.41 109.78 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.71 HD22 ' HB2' ' A' ' 95' ' ' ALA . 0.8 OUTLIER -64.3 132.61 50.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.032 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -128.03 132.13 49.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.3 pt -98.81 98.71 6.53 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.188 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -68.63 144.79 61.57 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.531 2.154 . . . . 0.0 112.274 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.439 HG13 ' O ' ' A' ' 113' ' ' LYS . 21.5 t -99.62 133.33 42.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.154 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.615 ' CG2' HD23 ' A' ' 115' ' ' LEU . 21.9 t -129.11 128.81 67.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.192 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 60.11 38.67 20.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 60.11 30.18 19.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.805 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.439 ' O ' HG13 ' A' ' 109' ' ' VAL . 13.5 mtmm -144.27 167.69 21.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 4.2 mt -81.76 141.38 15.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.615 HD23 ' CG2' ' A' ' 110' ' ' VAL . 0.3 OUTLIER -83.7 117.81 23.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.961 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.422 ' N ' HD13 ' A' ' 115' ' ' LEU . 8.1 t0 -59.12 162.85 4.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.795 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.787 HD22 HD21 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -139.68 -58.42 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.985 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -57.59 -51.28 70.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.866 0.365 . . . . 0.0 110.717 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.404 ' HB3' ' OD2' ' A' ' 116' ' ' ASP . . . -66.25 -42.54 88.41 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.174 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.883 ' O ' HG23 ' A' ' 124' ' ' VAL . 18.9 tp -60.26 -38.05 82.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.082 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 13.4 t -66.73 -39.89 88.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.035 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -67.97 -43.94 77.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.073 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.705 HD12 ' HA ' ' A' ' 120' ' ' LEU . 8.4 mt -58.8 -40.65 80.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.264 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.883 HG23 ' O ' ' A' ' 120' ' ' LEU . 22.0 t -62.27 -50.23 80.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.167 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.38 -47.09 86.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 50.7 p -57.06 -21.53 32.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.345 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.709 ' CB ' HG22 ' A' ' 133' ' ' VAL . 0.1 OUTLIER -86.17 -27.91 24.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.879 0.371 . . . . 0.0 110.943 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 138.53 41.18 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.451 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.746 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 86.15 -67.45 3.51 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.509 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -177.82 -53.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.879 0.371 . . . . 0.0 111.004 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -56.97 -39.33 74.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.073 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.95 -32.13 71.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.709 HG22 ' CB ' ' A' ' 127' ' ' LYS . 14.0 t -67.12 -45.55 86.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.077 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 3.3 m -70.01 -39.53 75.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 24.0 mtmm -61.72 -37.84 85.67 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.015 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -95.16 -14.9 23.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.153 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? 67.2 38.91 3.22 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.847 0.356 . . . . 0.0 110.846 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -92.57 13.89 18.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.278 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.504 ' CD1' HG12 ' A' ' 133' ' ' VAL . 63.7 m95 -67.14 -32.44 73.56 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.831 0.348 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.5 m -60.31 -40.47 90.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.09 -31.54 72.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.575 HG13 HG21 ' A' ' 123' ' ' ILE . 22.0 t -63.15 -49.11 84.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.063 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -68.98 -39.88 84.64 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.561 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 2.7 m -60.27 -39.46 86.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 111.027 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -61.97 -31.94 72.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.571 HD12 ' HE2' ' A' ' 148' ' ' TYR . 89.5 mt -67.84 -52.89 31.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 140.51 44.34 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.49 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' TYR . . . . . 0.571 ' HE2' HD12 ' A' ' 146' ' ' LEU . 24.5 m-85 -106.42 134.84 48.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.869 0.366 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.4 mt -75.95 144.87 76.66 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.35 89.21 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.474 2.116 . . . . 0.0 112.28 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -103.88 -151.84 22.37 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.542 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 14.6 mttm -61.55 -72.06 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.799 0.333 . . . . 0.0 110.856 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -164.06 72.85 0.18 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.641 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 20.5 m -65.84 -23.69 66.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.728 0.299 . . . . 0.0 111.093 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -56.95 -37.01 76.24 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.605 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 2.1 m -66.55 -36.19 82.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 110.835 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 6.4 mp -72.95 -38.39 66.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.791 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.475 HD23 HD21 ' A' ' 115' ' ' LEU . 66.4 mt -63.37 -44.61 94.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 159' ' ' LYS . . . . . 0.432 ' HG3' ' CD2' ' A' ' 139' ' ' TRP . 0.0 OUTLIER -60.95 -47.99 83.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.827 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 8.9 m -67.03 -42.1 85.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -63.95 -47.82 78.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 162' ' ' TYR . . . . . 0.786 ' CE2' HG21 ' A' ' 124' ' ' VAL . 24.5 t80 -66.99 -46.92 73.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -88.36 69.68 9.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -171.46 -36.84 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.349 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 2.0 mp -126.48 -48.28 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.642 0.258 . . . . 0.0 111.608 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.475 HD11 ' HE1' ' A' ' 90' ' ' PHE . 11.2 tp -78.24 -51.87 9.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.551 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 167' ' ' TYR . . . . . 0.538 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 2.6 t80 -54.84 -55.85 33.98 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.667 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 168' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 10.8 Cg_endo -54.79 -25.84 44.77 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.422 2.081 . . . . 0.0 112.667 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -56.89 -53.12 61.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.856 0.36 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.74 -50.12 74.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.965 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 53.9 mt -56.26 -36.93 69.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.053 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -58.14 -40.67 81.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.953 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -85.15 -40.87 16.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 9.2 m -97.84 30.86 2.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.031 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.432 -1.204 . . . . 0.0 112.487 -179.928 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 11.7 m . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.847 0.356 . . . . 0.0 111.311 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -66.97 -50.18 63.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.769 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.713 HD12 ' N ' ' A' ' 89' ' ' ASP . 3.5 pp -61.01 -46.13 92.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.878 0.37 . . . . 0.0 111.024 -179.562 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.713 ' N ' HD12 ' A' ' 88' ' ' LEU . 22.0 m-20 -57.69 -43.09 84.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.045 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -68.07 -41.88 81.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.727 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.589 HD11 HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -59.72 -33.98 72.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.924 -179.841 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.1 -41.08 86.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -60.95 -48.13 83.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.213 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.912 HD22 HD12 ' A' ' 105' ' ' LEU . 0.7 OUTLIER -66.08 -41.05 91.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.085 -179.618 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.08 -44.07 69.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.468 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.31 -34.02 65.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.298 -179.562 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -66.27 -49.0 68.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.276 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.468 ' HD1' HD23 ' A' ' 94' ' ' LEU . 25.9 m95 -66.05 -38.78 89.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.183 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -55.96 -42.52 76.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.108 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.5 mt -58.95 -31.75 68.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.648 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.449 ' NE2' ' HA ' ' A' ' 98' ' ' TRP . 0.0 OUTLIER -73.86 -48.36 31.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.537 179.675 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.94 -13.05 1.12 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.751 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 43.6 p -94.75 -162.36 0.94 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.773 0.32 . . . . 0.0 110.849 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.3 t -153.45 144.71 23.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.783 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.912 HD12 HD22 ' A' ' 94' ' ' LEU . 3.4 tt -78.42 126.86 31.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.855 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -128.01 132.31 49.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.554 HD11 HD21 ' A' ' 105' ' ' LEU . 1.7 mp -113.89 82.35 6.67 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.243 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.4 179.49 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.623 2.215 . . . . 0.0 112.294 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 29.3 t -125.04 113.11 34.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.016 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.4 t -111.35 138.05 41.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.206 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 61.65 35.93 16.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.017 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 58.56 30.35 19.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -151.48 165.34 34.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.816 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 28.6 mt -78.16 141.3 15.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.101 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.785 HD23 ' O ' ' A' ' 116' ' ' ASP . 3.2 tt -87.43 131.95 34.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.01 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.785 ' O ' HD23 ' A' ' 115' ' ' LEU . 3.8 t0 -69.46 165.57 20.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.535 HD11 HD23 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -138.42 -67.35 0.47 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.029 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -56.74 -51.28 69.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.29 -33.21 74.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.206 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.837 ' HA ' HD12 ' A' ' 123' ' ' ILE . 45.1 tp -68.71 -43.03 76.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.973 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 20.6 t -58.01 -36.99 73.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.033 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.1 mmtm -68.21 -42.79 79.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.083 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.837 HD12 ' HA ' ' A' ' 120' ' ' LEU . 13.7 mt -58.85 -44.12 89.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.359 -179.7 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.69 HG12 ' O ' ' A' ' 129' ' ' GLY . 18.6 t -59.67 -50.18 80.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.859 0.361 . . . . 0.0 111.131 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.86 -42.82 98.61 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.31 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 42.0 p -56.77 -25.4 55.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.206 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.551 ' CB ' HG22 ' A' ' 133' ' ' VAL . 9.5 mttt -84.08 -25.08 30.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 151.46 -21.37 0.94 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.669 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.69 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 145.89 -57.91 0.51 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.515 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.402 ' CE2' ' OE1' ' A' ' 163' ' ' GLU . 56.3 t80 -178.09 -58.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.836 0.35 . . . . 0.0 110.724 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -59.64 -34.25 72.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.956 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -39.24 88.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.551 HG22 ' CB ' ' A' ' 127' ' ' LYS . 24.1 t -66.81 -44.81 88.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 3.8 m -70.0 -44.39 69.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.962 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 15.3 mmtt -61.69 -37.89 85.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.993 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -92.13 -13.37 30.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.315 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.19 34.73 4.82 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.817 0.341 . . . . 0.0 110.792 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.87 0.17 45.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.368 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.457 ' CD1' HG12 ' A' ' 133' ' ' VAL . 81.3 m95 -58.89 -32.41 69.48 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.839 0.352 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.9 m -61.81 -41.38 97.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -63.35 -32.16 73.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.927 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.531 HG13 HG21 ' A' ' 123' ' ' ILE . 29.3 t -62.42 -48.38 88.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -68.05 -33.4 78.85 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.459 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 14.8 m -65.35 -37.32 86.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.787 0.327 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -31.56 71.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 2.2 tt -78.56 -66.19 0.89 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 160.22 42.64 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.474 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' TYR . . . . . 0.501 ' CE2' HD21 ' A' ' 158' ' ' LEU . 22.5 m-85 -97.24 118.38 33.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.826 0.346 . . . . 0.0 110.815 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 91.1 mt -61.2 150.28 79.83 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -69.28 92.17 0.47 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.624 2.216 . . . . 0.0 112.167 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -100.41 -147.68 21.36 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.409 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -99.31 -30.16 12.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.847 0.356 . . . . 0.0 111.042 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 153' ' ' GLY . . . . . 0.441 ' O ' ' HB ' ' A' ' 154' ' ' THR . . . -143.36 -115.93 1.1 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.674 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 154' ' ' THR . . . . . 0.441 ' HB ' ' O ' ' A' ' 153' ' ' GLY . 9.8 m 78.5 -7.88 1.73 Allowed 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -75.33 -41.97 29.37 Favored Glycine 0 C--N 1.334 0.423 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.585 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 24.3 m -61.32 -39.45 90.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.819 0.342 . . . . 0.0 110.965 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 4.1 mp -63.95 -45.95 86.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.501 HD21 ' CE2' ' A' ' 148' ' ' TYR . 10.2 mt -65.58 -42.01 92.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.755 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? -72.11 -38.55 69.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.855 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 62.3 m -66.96 -44.4 80.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 15.5 m80 -64.01 -41.85 97.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.786 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 162' ' ' TYR . . . . . 0.42 ' CZ ' HG21 ' A' ' 124' ' ' VAL . 71.6 t80 -61.91 -49.12 77.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.804 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.409 ' HA ' ' CB ' ' A' ' 167' ' ' TYR . 50.7 tt0 -91.43 70.32 5.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.843 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -166.2 -41.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.16 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.625 HG22 HD21 ' A' ' 94' ' ' LEU . 2.4 mt -127.24 -39.42 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.667 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.513 HD23 ' CD1' ' A' ' 94' ' ' LEU . 62.6 mt -84.24 -53.15 5.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.587 -179.272 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 167' ' ' TYR . . . . . 0.514 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 1.4 t80 -58.64 -55.94 40.86 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.599 -179.429 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 168' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 17.3 Cg_endo -58.66 -27.11 82.0 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.205 1.937 . . . . 0.0 112.643 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 169' ' ' TYR . . . . . 0.591 ' CD2' HD12 ' A' ' 94' ' ' LEU . 20.2 t80 -56.97 -53.22 60.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.778 0.323 . . . . 0.0 110.835 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.95 -50.23 74.59 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.902 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 67.5 mt -57.98 -38.69 76.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.077 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -57.26 -35.54 69.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.993 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -77.98 -44.03 27.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 1.9 m -99.37 30.32 3.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.333 -1.259 . . . . 0.0 112.423 -179.929 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 29.0 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.818 0.342 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.5 ttt180 -60.19 -48.01 83.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.491 ' HA ' HD12 ' A' ' 91' ' ' LEU . 4.7 tt -66.25 -40.61 90.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -57.74 -42.62 84.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.118 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -62.44 -42.68 99.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.045 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' A' ' 88' ' ' LEU . 11.4 mt -60.85 -33.06 72.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -65.9 -43.72 87.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.078 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 56.5 mm-40 -65.88 -40.68 91.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.981 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.843 HD21 HG22 ' A' ' 165' ' ' ILE . 2.5 tt -63.01 -46.55 87.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.013 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.606 ' HB2' HD23 ' A' ' 105' ' ' LEU . . . -69.91 -41.39 74.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.34 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -65.03 -44.82 87.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.16 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -60.66 -49.04 79.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.09 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 40.0 m95 -66.09 -32.81 74.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.26 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -55.73 -41.59 74.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 0.0 111.092 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 29.0 mt -62.3 -30.86 71.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.82 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -70.33 -40.21 74.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 114.95 16.5 7.31 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.905 -0.665 . . . . 0.0 112.667 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.484 ' C ' HG23 ' A' ' 104' ' ' THR . 0.4 OUTLIER -114.48 -22.01 10.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.699 0.285 . . . . 0.0 111.17 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.484 HG23 ' C ' ' A' ' 103' ' ' SER . 0.0 OUTLIER 56.09 169.18 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.869 0.366 . . . . 0.0 111.054 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.836 HD13 HG21 ' A' ' 165' ' ' ILE . 62.2 tp -113.5 124.79 53.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.971 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 19.1 tptm -119.56 109.96 16.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.656 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 4.8 mt -62.02 110.14 2.95 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.243 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -75.54 126.25 9.5 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.37 2.047 . . . . 0.0 112.367 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.5 t -94.29 116.78 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.028 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 25.2 t -125.14 137.88 56.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.205 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 60.65 35.97 19.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 6.7 ttm-85 58.14 29.57 18.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 7.2 tttm -146.34 166.93 24.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.819 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 29.6 mm -85.58 140.54 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.796 HD23 ' O ' ' A' ' 116' ' ' ASP . 8.9 tt -92.79 111.21 22.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.796 ' O ' HD23 ' A' ' 115' ' ' LEU . 1.5 t70 -59.05 175.23 0.3 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.446 ' HB3' HD23 ' A' ' 166' ' ' LEU . 30.4 mt -142.85 -55.45 0.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.011 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -58.86 -51.37 70.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.97 -39.3 94.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.236 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.838 ' HA ' HD12 ' A' ' 123' ' ' ILE . 42.9 tp -68.83 -39.15 80.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.0 t -57.86 -39.36 77.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.084 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -68.04 -41.02 82.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.944 HG21 HG13 ' A' ' 142' ' ' VAL . 23.1 mt -58.81 -46.25 91.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.382 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.643 HG12 ' O ' ' A' ' 129' ' ' GLY . 17.5 t -59.33 -50.28 80.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.149 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.34 -46.27 89.09 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.29 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 78.6 p -56.8 -25.67 56.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.173 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.02 -24.65 30.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.998 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 154.08 -23.46 0.69 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.679 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.643 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 139.41 -55.3 0.66 Allowed Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.343 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -178.57 -56.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.99 0.424 . . . . 0.0 110.948 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -59.47 -42.08 91.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.002 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -61.0 -34.61 75.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.794 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.604 HG21 HG13 ' A' ' 124' ' ' VAL . 20.2 t -66.98 -46.3 85.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.156 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 28.1 m -69.97 -35.08 74.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 8.7 mtpt -61.87 -31.13 71.37 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.048 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -104.09 -11.97 17.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.287 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 23.9 tttt 65.93 34.99 6.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.815 0.341 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.563 ' O ' HG23 ' A' ' 142' ' ' VAL . 11.3 mmtm -80.58 -4.71 55.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.3 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.565 ' CD1' HG12 ' A' ' 133' ' ' VAL . 97.3 m95 -55.54 -37.4 67.92 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.754 0.312 . . . . 0.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.62 -41.85 99.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.794 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.71 -35.26 80.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.944 HG13 HG21 ' A' ' 123' ' ' ILE . 25.1 t -59.68 -48.45 87.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -59.2 -36.86 90.54 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 16.7 m -66.48 -38.03 86.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.846 0.355 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 22.4 mtm-85 -69.95 -33.99 72.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.7 HD21 ' HB3' ' A' ' 116' ' ' ASP . 0.2 OUTLIER -63.45 -42.0 98.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 135.56 44.4 0.1 Allowed Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.396 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -105.12 166.17 10.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.914 0.387 . . . . 0.0 110.954 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 3.4 mt -88.04 153.57 51.84 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -68.58 145.01 62.71 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.555 2.17 . . . . 0.0 112.304 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 155.57 -171.03 33.58 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.476 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -124.91 134.17 52.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.825 0.345 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 108.14 28.18 4.78 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.466 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 1.1 m -118.23 -39.89 3.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.858 0.361 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 155' ' ' GLY . . . . . 0.723 ' HA2' HD12 ' A' ' 158' ' ' LEU . . . -58.75 -39.74 94.06 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.536 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 6.4 m -61.16 -38.29 85.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.781 0.325 . . . . 0.0 110.814 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 11.1 mp -69.65 -44.23 70.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.723 HD12 ' HA2' ' A' ' 155' ' ' GLY . 4.0 mt -60.01 -40.12 88.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.937 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 159' ' ' LYS . . . . . 0.439 ' HG3' ' CD2' ' A' ' 139' ' ' TRP . 1.0 OUTLIER -67.15 -43.34 82.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 3.6 m -66.96 -46.1 75.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 48.9 m-70 -65.81 -41.58 91.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 162' ' ' TYR . . . . . 0.548 ' HD1' HD23 ' A' ' 120' ' ' LEU . 86.6 t80 -58.43 -46.88 85.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -93.13 47.85 1.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.824 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -132.83 -43.68 0.89 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.016 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.843 HG22 HD21 ' A' ' 94' ' ' LEU . 1.5 mp -129.21 -50.15 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.891 0.377 . . . . 0.0 111.409 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.504 HD13 ' C ' ' A' ' 166' ' ' LEU . 2.8 tm? -63.21 -61.89 2.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.485 -179.478 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 167' ' ' TYR . . . . . 0.513 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 2.9 t80 -53.06 -56.35 24.6 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.868 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 168' ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 15.1 Cg_endo -57.7 -29.35 85.27 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.238 1.959 . . . . 0.0 112.52 -179.703 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -57.45 -53.05 62.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.767 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -56.3 -49.45 74.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.818 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 9.1 mp -54.91 -33.88 62.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.973 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -68.23 -31.4 70.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -68.55 -44.2 75.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.018 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 1.8 m 176.97 40.81 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.966 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.433 -1.204 . . . . 0.0 112.58 179.896 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 18.3 m . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.793 0.33 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -58.66 -49.56 77.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.952 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.4 mp -66.94 -46.05 75.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.967 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.74 -43.16 85.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.031 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -67.24 -44.03 80.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.644 HD21 HD11 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -59.98 -36.7 77.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.983 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -67.07 -36.86 82.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -72.01 -39.9 68.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.591 HD23 HD11 ' A' ' 105' ' ' LEU . 19.8 tp -59.56 -48.86 80.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.989 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.433 ' HB2' HD22 ' A' ' 105' ' ' LEU . . . -69.91 -43.09 72.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.226 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -64.96 -41.43 95.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.1 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -66.77 -49.29 66.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.945 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 38.8 m95 -66.24 -35.57 80.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.071 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.79 -40.34 72.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.072 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 16.4 mt -64.71 -30.97 72.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -68.51 -39.38 81.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 109.79 23.84 6.04 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.58 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.3 m -106.11 -26.63 11.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.778 0.323 . . . . 0.0 111.026 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 19.4 m 64.85 107.2 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.591 HD11 HD23 ' A' ' 94' ' ' LEU . 6.6 tt -64.64 133.05 51.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.425 ' O ' ' HD3' ' A' ' 108' ' ' PRO . 33.4 mttp -128.04 132.2 49.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.808 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.5 mt -105.11 100.97 27.61 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.034 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.425 ' HD3' ' O ' ' A' ' 106' ' ' LYS . 2.9 Cg_exo -76.12 168.05 24.78 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.837 2.358 . . . . 0.0 112.269 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.9 t -125.1 117.43 49.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.756 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 15.5 t -107.03 133.15 52.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.356 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 56.65 39.58 29.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.056 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 25.2 mtm-85 56.53 26.67 11.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.965 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -138.28 139.08 38.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.792 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 13.7 mt -72.84 139.13 20.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.121 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.48 HD12 ' OH ' ' A' ' 148' ' ' TYR . 4.6 tt -101.61 110.82 22.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.724 ' H ' HD21 ' A' ' 146' ' ' LEU . 1.8 t70 -59.39 175.47 0.32 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.949 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.964 HD23 HD22 ' A' ' 166' ' ' LEU . 0.3 OUTLIER -126.18 -61.32 1.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.009 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -56.81 -51.15 70.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.947 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -56.75 -38.82 72.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.314 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.705 ' O ' HG23 ' A' ' 124' ' ' VAL . 0.2 OUTLIER -69.0 -38.97 79.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 -179.901 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 10.3 t -58.4 -44.39 88.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.173 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -61.95 -45.53 93.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.157 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.688 HG21 HG13 ' A' ' 142' ' ' VAL . 45.3 mt -58.81 -49.05 84.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.384 -179.695 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.761 HG21 ' CZ ' ' A' ' 162' ' ' TYR . 20.7 t -58.88 -50.13 80.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.861 0.362 . . . . 0.0 111.311 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -58.0 -47.19 83.75 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.139 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 27.2 p -56.99 -22.26 37.06 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.398 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.42 ' HB2' HG22 ' A' ' 133' ' ' VAL . 1.6 mmtt -87.69 -40.1 14.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.854 0.359 . . . . 0.0 110.86 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 156.5 42.38 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.594 -0.813 . . . . 0.0 112.708 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.625 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 75.63 -63.28 2.69 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.749 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -177.24 -51.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.332 . . . . 0.0 111.13 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -56.74 -44.73 81.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.189 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 3.1 ttm -60.93 -32.77 72.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.878 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.486 HG21 HG13 ' A' ' 124' ' ' VAL . 21.4 t -67.01 -48.65 78.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.11 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 2.9 m -65.64 -39.69 91.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.011 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -37.91 86.18 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -93.11 -13.8 28.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.18 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt 65.94 38.3 5.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.831 0.348 . . . . 0.0 110.79 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.651 ' O ' HG23 ' A' ' 142' ' ' VAL . 16.0 mtpt -89.46 9.57 25.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.297 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.422 ' CE2' ' HG2' ' A' ' 159' ' ' LYS . 88.0 m95 -65.4 -32.02 73.42 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.826 0.346 . . . . 0.0 110.756 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 6.5 m -66.55 -41.53 88.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.755 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 4.6 mtmt -65.35 -34.76 79.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.772 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.688 HG13 HG21 ' A' ' 123' ' ' ILE . 38.2 t -60.18 -45.22 96.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -68.93 -32.97 73.97 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.567 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 67.3 m -58.81 -36.32 74.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.339 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.02 -29.58 64.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.808 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.724 HD21 ' H ' ' A' ' 116' ' ' ASP . 0.3 OUTLIER -75.16 -66.35 0.77 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.828 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 171.84 41.54 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.509 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' TYR . . . . . 0.48 ' OH ' HD12 ' A' ' 115' ' ' LEU . 76.9 m-85 -115.08 134.34 55.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.833 0.349 . . . . 0.0 110.852 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 34.2 mt -105.77 141.78 23.41 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.773 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.18 154.17 14.67 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.535 2.157 . . . . 0.0 112.302 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -176.05 -82.33 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.492 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.47 -38.66 3.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.889 0.376 . . . . 0.0 110.956 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 169.64 -77.72 0.1 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.473 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 154' ' ' THR . . . . . 0.466 HG22 ' O ' ' A' ' 154' ' ' THR . 9.7 m 62.93 17.58 10.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.731 0.3 . . . . 0.0 111.279 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -75.24 -42.0 29.73 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.571 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 25.5 m -65.29 -35.57 81.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.745 0.307 . . . . 0.0 110.982 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 2.7 mp -63.95 -45.05 90.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.465 HD21 ' CE2' ' A' ' 148' ' ' TYR . 37.3 mt -62.18 -40.46 96.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.828 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 159' ' ' LYS . . . . . 0.422 ' HG2' ' CE2' ' A' ' 139' ' ' TRP . 19.3 mtpt -72.01 -43.59 64.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 2.0 m -65.52 -46.08 81.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 36.6 m-70 -66.19 -43.6 86.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.769 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 162' ' ' TYR . . . . . 0.761 ' CZ ' HG21 ' A' ' 124' ' ' VAL . 87.3 t80 -60.36 -49.05 79.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.707 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.415 ' HA ' ' CB ' ' A' ' 167' ' ' TYR . 22.6 tt0 -94.07 71.75 3.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.703 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.56 -39.19 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.519 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.483 HG22 HD21 ' A' ' 94' ' ' LEU . 2.7 mp -127.92 -61.63 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.964 HD22 HD23 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -64.53 -44.56 90.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.7 -179.242 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 167' ' ' TYR . . . . . 0.513 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 3.9 t80 -61.65 -57.26 25.84 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.522 -179.505 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 168' ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 11.0 Cg_endo -55.09 -25.89 47.65 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.22 1.947 . . . . 0.0 112.298 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -60.33 -53.07 61.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.722 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -57.53 -50.13 74.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 89.8 mt -57.65 -34.1 68.99 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -62.92 -31.27 72.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.81 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -69.03 -44.41 72.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.551 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 7.1 m -106.73 26.75 9.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.571 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.028 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.49 -179.924 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 22.4 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.857 0.361 . . . . 0.0 111.229 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.455 HH12 ' HB2' ' A' ' 119' ' ' ALA . 6.9 mtt180 -65.25 -43.5 91.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.965 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.0 -44.01 90.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.8 -43.05 85.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.111 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -58.63 -43.25 89.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.9 mp -64.74 -34.38 78.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -67.13 -36.86 82.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.029 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -66.68 -47.69 71.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.877 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.847 HD22 HD13 ' A' ' 105' ' ' LEU . 3.9 tt -62.64 -42.1 99.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.45 ' HB2' ' HB3' ' A' ' 105' ' ' LEU . . . -70.13 -45.45 66.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.2 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -64.9 -36.82 85.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.022 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.434 ' O ' ' NE2' ' A' ' 101' ' ' GLN . 7.8 t80 -67.12 -49.22 65.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.116 -179.711 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.443 ' HD1' HD23 ' A' ' 94' ' ' LEU . 47.6 m95 -65.97 -36.58 83.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.964 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.95 -41.95 75.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.987 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 50.0 mt -59.01 -31.63 68.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.684 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.434 ' NE2' ' O ' ' A' ' 97' ' ' PHE . 1.3 mp0 -73.96 -44.5 54.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.693 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 145.82 -14.63 1.76 Allowed Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.723 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 14.8 p -94.04 -162.48 0.95 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.743 0.306 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -156.94 133.38 9.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.839 0.352 . . . . 0.0 110.713 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.847 HD13 HD22 ' A' ' 94' ' ' LEU . 25.9 tp -65.48 119.41 10.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.401 ' O ' ' HD3' ' A' ' 108' ' ' PRO . 3.5 mttt -128.06 132.15 49.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.674 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.831 ' CD1' HD21 ' A' ' 117' ' ' LEU . 22.4 mm -105.82 101.06 30.97 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.195 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 106' ' ' LYS . 37.6 Cg_exo -60.18 165.38 10.8 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.494 2.129 . . . . 0.0 112.23 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 t -110.29 112.83 42.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.979 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.2 t -106.97 133.24 52.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.055 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.416 ' HG3' ' CD1' ' A' ' 148' ' ' TYR . 1.9 mm-40 59.32 35.99 23.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 59.74 35.75 22.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -150.44 153.64 36.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 32.0 mt -88.32 125.9 41.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.054 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.664 HD12 ' HG ' ' A' ' 146' ' ' LEU . 3.9 tp -90.01 143.62 26.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.955 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -78.29 174.21 11.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.785 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.831 HD21 ' CD1' ' A' ' 107' ' ' ILE . 5.0 mp -120.92 -55.72 1.97 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.999 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -55.9 -51.14 68.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.957 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.455 ' HB2' HH12 ' A' ' 87' ' ' ARG . . . -55.85 -45.91 78.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.383 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.679 ' O ' HG23 ' A' ' 124' ' ' VAL . 0.5 OUTLIER -58.17 -48.15 81.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 -179.81 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 16.7 t -57.99 -36.63 72.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.081 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.93 -45.69 73.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.047 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.724 HG21 HG13 ' A' ' 142' ' ' VAL . 38.7 mt -58.92 -44.01 89.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.354 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 120' ' ' LEU . 17.7 t -59.41 -50.18 80.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.801 0.334 . . . . 0.0 111.171 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.2 -41.32 88.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.318 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 15.5 p -56.82 -27.2 59.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.224 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.444 ' CB ' HG22 ' A' ' 133' ' ' VAL . 2.4 mptt -83.88 -25.76 29.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.973 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 153.55 -22.64 0.73 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.741 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.647 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 143.42 -56.07 0.56 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.444 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -179.67 -57.23 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.885 0.374 . . . . 0.0 110.855 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -59.93 -39.4 85.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.5 ttm -61.0 -34.03 74.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.444 HG22 ' CB ' ' A' ' 127' ' ' LYS . 21.7 t -66.99 -40.0 84.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.103 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 4.0 m -67.61 -46.07 73.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 10.4 mtpp -61.74 -38.09 86.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -85.41 -19.38 31.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.079 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 67.43 38.08 3.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.829 0.347 . . . . 0.0 110.803 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.72 ' O ' HG23 ' A' ' 142' ' ' VAL . 62.8 mmtt -91.17 10.94 24.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.287 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -65.23 -39.58 92.94 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.841 0.353 . . . . 0.0 110.816 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 3.6 m -64.31 -36.54 84.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -67.72 -35.67 79.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.848 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.724 HG13 HG21 ' A' ' 123' ' ' ILE . 21.9 t -59.73 -42.47 88.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.049 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -67.82 -39.16 89.85 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.426 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 3.2 m -59.96 -35.96 76.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.772 0.32 . . . . 0.0 110.842 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.53 -31.27 72.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.664 ' HG ' HD12 ' A' ' 115' ' ' LEU . 0.1 OUTLIER -72.33 -71.51 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 170.96 50.81 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.566 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' TYR . . . . . 0.681 ' HE2' HD21 ' A' ' 158' ' ' LEU . 23.3 m-85 -112.71 153.73 27.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.817 0.341 . . . . 0.0 110.953 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 5.4 mt -92.61 146.62 32.67 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.87 162.35 2.63 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.579 2.186 . . . . 0.0 112.265 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 144.83 -160.43 27.99 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.508 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 14.5 mtpt -105.2 128.93 53.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.787 0.327 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 106.88 -136.57 13.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.459 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 10.2 m 69.47 -63.53 0.38 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.802 0.334 . . . . 0.0 111.157 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -56.88 -33.95 64.47 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.602 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 67.8 m -60.89 -40.01 91.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.903 0.383 . . . . 0.0 110.933 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 5.2 mp -74.09 -41.47 61.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.681 HD21 ' HE2' ' A' ' 148' ' ' TYR . 11.3 mt -62.95 -45.11 94.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -48.09 83.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 48.0 m -67.12 -37.18 83.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -66.83 -48.01 70.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 162' ' ' TYR . . . . . 0.608 ' CE2' HG21 ' A' ' 124' ' ' VAL . 28.8 t80 -60.48 -49.02 79.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.838 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -88.82 54.82 3.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.796 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.03 -43.9 0.2 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.007 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.699 HG22 HD21 ' A' ' 94' ' ' LEU . 2.6 mp -132.16 -41.43 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.448 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.564 ' HG ' HD23 ' A' ' 117' ' ' LEU . 5.3 mp -73.51 -64.35 1.01 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.368 -179.515 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 167' ' ' TYR . . . . . 0.557 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 1.7 t80 -51.5 -54.99 33.24 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.985 -179.447 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 168' ' ' PRO . . . . . 0.557 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 10.4 Cg_endo -54.72 -26.05 45.18 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.333 2.022 . . . . 0.0 112.74 -179.343 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 169' ' ' TYR . . . . . 0.468 ' CD2' HD12 ' A' ' 94' ' ' LEU . 17.4 t80 -57.73 -53.2 60.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.877 0.37 . . . . 0.0 110.737 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -60.19 -49.95 75.58 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.774 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 0.533 HD12 ' HA ' ' A' ' 168' ' ' PRO . 3.8 mt -54.92 -34.47 63.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.993 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -65.71 -32.11 73.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.814 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 60.2 mm-40 -64.2 -44.33 92.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.613 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 3.3 m -110.91 26.29 10.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.511 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.44 -1.2 . . . . 0.0 112.52 179.997 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.4 HG23 ' N ' ' A' ' 87' ' ' ARG . 28.3 m . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.764 0.316 . . . . 0.0 111.302 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.4 ' N ' HG23 ' A' ' 86' ' ' VAL . 12.6 mtp180 -65.83 -50.07 65.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.066 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.517 ' HA ' HD12 ' A' ' 91' ' ' LEU . 3.5 tt -61.31 -43.68 98.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.888 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -57.81 -42.78 84.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.092 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -67.11 -45.67 76.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.527 ' CD2' HD13 ' A' ' 117' ' ' LEU . 9.4 mt -59.95 -32.98 71.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -62.17 -47.09 86.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -62.49 -48.05 81.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.642 HD13 ' CG ' ' A' ' 169' ' ' TYR . 39.7 tp -64.14 -43.85 93.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.881 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.12 -45.4 66.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.302 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -69.26 -41.08 77.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.192 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -61.84 -49.49 76.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.044 -179.651 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 34.4 m95 -66.51 -37.79 85.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.075 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -55.81 -44.37 77.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.154 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 7.0 mt -60.33 -31.25 70.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -66.63 -39.27 88.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 115.79 17.66 6.35 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.632 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.21 -28.07 7.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.724 0.297 . . . . 0.0 110.983 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 7.1 m 64.42 147.58 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.566 HD12 ' HG ' ' A' ' 94' ' ' LEU . 4.4 tt -88.22 127.1 35.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.98 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -128.07 128.2 44.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.672 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 5.0 mt -102.81 94.04 4.88 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.164 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.25 132.94 23.56 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.508 2.139 . . . . 0.0 112.268 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.5 t -83.03 123.51 38.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.004 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.4 t -116.56 129.18 73.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.184 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 58.59 39.44 24.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.991 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.29 28.83 18.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -138.56 143.93 39.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 10.3 mt -78.75 123.56 35.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.066 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.465 ' CD1' HD23 ' A' ' 158' ' ' LEU . 4.0 tp -73.23 105.34 4.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -59.92 164.04 4.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.527 HD13 ' CD2' ' A' ' 91' ' ' LEU . 4.7 mp -118.97 -66.99 1.02 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.997 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -54.85 -51.24 66.51 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.858 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.74 -39.42 91.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.191 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.581 ' O ' HG23 ' A' ' 124' ' ' VAL . 27.7 tp -64.39 -47.16 80.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 41.9 t -57.99 -34.93 70.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.074 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.61 -45.87 74.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.123 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.796 HG21 HG13 ' A' ' 142' ' ' VAL . 45.1 mt -58.76 -44.84 91.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.395 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.612 HG21 ' CZ ' ' A' ' 162' ' ' TYR . 21.6 t -58.85 -50.32 79.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.132 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.19 -46.11 90.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.273 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 97.8 p -56.75 -24.52 50.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.34 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.419 ' HB2' HG22 ' A' ' 133' ' ' VAL . 11.0 mmtt -82.85 -22.57 34.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.862 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 149.8 -21.64 1.15 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.474 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.603 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 138.51 -56.42 0.65 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.287 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -179.02 -57.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.84 0.352 . . . . 0.0 110.842 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -61.24 -36.95 81.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.976 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 78.1 mmm -61.01 -34.79 75.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.519 HG12 ' CD1' ' A' ' 139' ' ' TRP . 16.5 t -67.02 -45.87 86.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.153 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 6.5 m -70.03 -31.93 69.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.999 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 13.8 mtmm -61.64 -33.02 73.22 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.001 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -112.75 2.91 16.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.496 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 57.93 35.41 25.31 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.823 0.344 . . . . 0.0 110.955 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.453 ' HB2' HG13 ' A' ' 133' ' ' VAL . 1.3 mmmm -75.55 -6.7 51.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.45 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.519 ' CD1' HG12 ' A' ' 133' ' ' VAL . 93.4 m95 -56.15 -34.46 66.17 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.804 0.335 . . . . 0.0 111.09 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 2.4 m -63.46 -33.02 74.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -71.97 -36.39 69.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.796 HG13 HG21 ' A' ' 123' ' ' ILE . 21.5 t -60.6 -48.97 86.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.516 ' HA3' HD11 ' A' ' 158' ' ' LEU . . . -65.34 -34.75 90.24 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.484 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 17.6 m -62.31 -41.83 98.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.943 0.401 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -61.94 -34.05 75.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.89 -29.34 70.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.826 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 117.95 33.61 1.25 Allowed Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.635 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' TYR . . . . . 0.585 ' CD2' HG21 ' A' ' 154' ' ' THR . 6.7 m-85 -86.89 154.47 20.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.764 0.316 . . . . 0.0 110.869 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 2.9 mt -86.41 134.54 37.99 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.6 173.55 0.24 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.457 2.105 . . . . 0.0 112.153 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 120.72 -104.02 0.95 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.55 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.53 173.95 7.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.809 0.338 . . . . 0.0 110.935 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -88.05 132.21 11.08 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.586 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 154' ' ' THR . . . . . 0.585 HG21 ' CD2' ' A' ' 148' ' ' TYR . 1.7 m -106.68 -21.49 13.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.753 0.311 . . . . 0.0 111.066 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -56.89 -34.03 64.64 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.684 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 49.8 m -68.09 -36.59 80.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.924 0.393 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 4.0 mp -74.11 -41.31 61.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.516 HD11 ' HA3' ' A' ' 143' ' ' GLY . 8.9 mt -64.36 -39.09 93.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 159' ' ' LYS . . . . . 0.439 ' HG2' ' CE2' ' A' ' 139' ' ' TRP . 0.0 OUTLIER -64.0 -47.04 81.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.955 -179.879 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 2.4 m -63.83 -44.88 91.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.07 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 15.5 m170 -72.02 -43.69 64.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.064 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 162' ' ' TYR . . . . . 0.612 ' CZ ' HG21 ' A' ' 124' ' ' VAL . 54.9 t80 -62.65 -49.06 76.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.132 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -94.43 67.55 3.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.101 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -160.69 -49.62 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 1.7 mp -123.61 -26.03 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.744 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 1.5 tt -92.47 -64.56 1.09 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.75 0.31 . . . . 0.0 111.365 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 167' ' ' TYR . . . . . 0.56 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 1.8 t80 -48.58 -55.32 20.05 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.774 -179.592 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 168' ' ' PRO . . . . . 0.56 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 11.0 Cg_endo -54.76 -29.25 61.34 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.392 2.061 . . . . 0.0 112.809 -179.62 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 169' ' ' TYR . . . . . 0.642 ' CG ' HD13 ' A' ' 94' ' ' LEU . 24.2 t80 -57.6 -53.21 60.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 0.0 110.874 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -58.11 -50.16 74.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 168' ' ' PRO . 5.8 mt -59.87 -34.15 72.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.979 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -58.73 -37.41 76.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -85.15 -42.78 14.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 12.9 m -97.92 31.16 2.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.156 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.274 -1.292 . . . . 0.0 112.608 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 10.6 m . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.851 0.358 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.9 -50.02 70.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.71 ' HA ' HD12 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -64.54 -44.76 89.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.745 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.9 -39.32 77.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -58.69 -42.22 88.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.71 HD12 ' HA ' ' A' ' 88' ' ' LEU . 6.1 mt -62.17 -33.02 73.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.73 -46.6 74.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.972 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -61.56 -42.36 98.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.45 HD12 ' CD1' ' A' ' 169' ' ' TYR . 20.1 tp -66.53 -45.67 78.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.95 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.967 ' HB2' HD23 ' A' ' 105' ' ' LEU . . . -70.09 -38.51 75.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.386 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.0 mttt -74.41 -44.62 51.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.14 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.438 ' O ' ' NE2' ' A' ' 101' ' ' GLN . 16.4 t80 -62.37 -49.27 76.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.99 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 39.3 m95 -66.36 -33.14 75.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.939 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.83 -39.34 71.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.006 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.3 mp -59.04 -33.47 70.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.438 ' NE2' ' O ' ' A' ' 97' ' ' PHE . 1.9 mp0 -70.03 -44.35 69.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 112.5 23.99 5.19 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.494 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.6 -25.01 13.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.748 0.309 . . . . 0.0 111.074 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 7.8 m 65.38 128.51 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.833 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.967 HD23 ' HB2' ' A' ' 95' ' ' ALA . 45.4 tp -78.93 126.4 30.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.013 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.422 ' O ' ' HD3' ' A' ' 108' ' ' PRO . 1.2 mttp -128.14 132.4 48.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.619 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.1 mp -108.11 98.53 26.83 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.284 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.422 ' HD3' ' O ' ' A' ' 106' ' ' LYS . 17.7 Cg_exo -66.57 176.29 4.35 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.707 2.271 . . . . 0.0 112.305 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 31.2 t -122.88 120.87 61.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.77 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 20.8 t -109.62 122.1 63.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.393 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 55.56 45.09 25.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.149 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.99 27.53 13.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.94 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 5.0 tttm -136.92 140.33 42.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.786 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.542 ' H ' HD12 ' A' ' 114' ' ' ILE . 3.5 mp -69.66 138.54 21.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.492 HD21 HD22 ' A' ' 158' ' ' LEU . 0.5 OUTLIER -87.04 112.7 22.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.017 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -69.03 157.65 36.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.804 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.727 HD23 ' HG ' ' A' ' 166' ' ' LEU . 4.6 mp -115.88 -58.25 2.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.066 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.42 ' CE2' ' HE3' ' A' ' 122' ' ' LYS . 13.7 t80 -56.22 -51.12 69.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.04 -44.9 95.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.322 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.686 ' O ' HG23 ' A' ' 124' ' ' VAL . 0.7 OUTLIER -60.76 -48.98 79.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.059 -179.716 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.5 t -58.63 -35.65 72.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.106 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.42 ' HE3' ' CE2' ' A' ' 118' ' ' TYR . 20.6 mttt -67.95 -46.69 70.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.064 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.796 HG21 HG13 ' A' ' 142' ' ' VAL . 23.6 mt -58.96 -39.75 78.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.384 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 120' ' ' LEU . 22.1 t -62.26 -50.27 80.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.102 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.5 -38.57 84.74 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.288 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 25.9 p -56.76 -26.74 58.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.276 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.525 ' HB2' HG22 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -83.91 -25.59 30.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.916 179.887 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 152.3 -22.44 0.86 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.614 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.678 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 145.88 -58.96 0.5 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.346 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.427 ' HB2' ' CZ ' ' A' ' 167' ' ' TYR . 19.7 t80 -179.48 -56.92 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.832 0.349 . . . . 0.0 110.861 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -57.44 -39.23 75.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.999 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 4.3 mmm -60.95 -37.63 83.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.756 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.667 HG12 ' CD1' ' A' ' 139' ' ' TRP . 25.0 t -67.01 -44.45 88.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.074 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.2 m -69.11 -45.74 69.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.66 -35.81 79.03 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.954 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -89.55 -19.62 24.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.018 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.94 37.75 2.99 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.883 0.373 . . . . 0.0 111.002 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -97.43 18.26 15.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.667 ' CD1' HG12 ' A' ' 133' ' ' VAL . 62.0 m95 -67.06 -34.9 78.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.875 0.369 . . . . 0.0 110.897 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 5.4 m -59.94 -38.86 83.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.832 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -62.02 -32.29 72.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.796 HG13 HG21 ' A' ' 123' ' ' ILE . 21.6 t -63.51 -49.0 84.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.152 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -61.52 -32.76 82.38 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.606 -0.806 . . . . 0.0 112.511 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 22.4 m -65.92 -43.24 88.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.787 0.327 . . . . 0.0 110.843 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -31.27 71.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.492 HD11 HD23 ' A' ' 120' ' ' LEU . 7.1 mt -73.73 -31.33 63.31 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.813 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 122.1 45.08 0.34 Allowed Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.576 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 148' ' ' TYR . . . . . 0.583 ' CE2' HD21 ' A' ' 158' ' ' LEU . 5.9 m-85 -101.21 158.95 15.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.804 0.335 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 16.4 mt -103.58 153.82 38.33 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -68.6 132.46 25.33 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.536 2.157 . . . . 0.0 112.238 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 179.63 -171.26 42.9 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.49 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 47.4 mttp -96.39 143.09 27.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.908 0.385 . . . . 0.0 110.782 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 60.13 90.64 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.588 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 49.8 m -158.67 -53.66 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.765 0.316 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -61.49 -38.84 96.45 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.634 -0.794 . . . . 0.0 112.499 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 67.9 m -66.04 -34.4 77.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.852 0.358 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 9.7 mp -65.29 -46.06 81.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.803 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.583 HD21 ' CE2' ' A' ' 148' ' ' TYR . 44.8 mt -60.88 -35.44 76.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.956 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 159' ' ' LYS . . . . . 0.417 ' HG2' ' CE2' ' A' ' 139' ' ' TRP . 0.1 OUTLIER -68.76 -38.16 79.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.923 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 68.3 m -66.55 -45.7 78.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 44.0 m80 -63.93 -43.11 96.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 162' ' ' TYR . . . . . 0.489 ' CD1' HD12 ' A' ' 120' ' ' LEU . 30.0 t80 -62.91 -35.5 80.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.403 ' OE1' ' CZ ' ' A' ' 130' ' ' PHE . 11.7 tp10 -97.07 44.79 1.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.828 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.64 -46.39 0.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 1.8 mp -134.8 -36.18 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.394 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.727 ' HG ' HD23 ' A' ' 117' ' ' LEU . 5.9 mp -69.5 -74.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.494 -179.422 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 167' ' ' TYR . . . . . 0.581 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 2.1 t80 -54.74 -53.45 60.41 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.292 -0.413 . . . . 0.0 112.045 -179.415 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 168' ' ' PRO . . . . . 0.581 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 9.3 Cg_endo -54.49 -25.77 41.91 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.253 1.968 . . . . 0.0 112.826 -179.12 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 169' ' ' TYR . . . . . 0.45 ' CD1' HD12 ' A' ' 94' ' ' LEU . 58.9 t80 -58.61 -53.08 62.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.757 0.313 . . . . 0.0 110.661 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.43 -50.15 70.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 0.54 HD22 ' O ' ' A' ' 175' ' ' GLY . 51.5 mt -54.9 -33.9 62.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.068 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -68.38 -32.0 71.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -66.39 -44.05 84.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.963 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 2.3 m -179.96 39.21 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.923 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 175' ' ' GLY . . . . . 0.54 ' O ' HD22 ' A' ' 171' ' ' LEU . . . . . . . . 0 C--O 1.25 1.132 0 CA-C-O 118.404 -1.22 . . . . 0.0 112.571 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 17.1 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.726 0.298 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.3 ttp180 -63.49 -44.69 93.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.49 -43.49 96.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.8 -43.08 85.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.157 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -60.23 -41.93 94.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.083 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.82 -41.48 97.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.073 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -61.34 -37.11 82.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.231 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -68.13 -43.24 78.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.03 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.544 HD12 ' CD2' ' A' ' 169' ' ' TYR . 4.2 tt -68.0 -42.92 79.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.962 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.04 -44.98 68.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.247 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.92 -41.81 95.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.161 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -59.56 -49.12 79.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.487 ' CD1' HD23 ' A' ' 105' ' ' LEU . 42.6 m95 -66.03 -36.14 82.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.9 -39.79 72.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 64.1 mt -59.15 -38.69 80.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.807 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -63.01 -45.03 94.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.835 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 114.86 22.94 4.82 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.487 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -103.93 -25.35 13.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.729 0.299 . . . . 0.0 111.02 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 10.6 m 68.84 119.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.753 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.537 HD21 ' CG2' ' A' ' 165' ' ' ILE . 0.4 OUTLIER -79.23 126.18 30.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.081 -179.826 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.496 ' N ' HD13 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -124.05 109.85 14.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.759 179.813 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 4.7 mt -71.89 110.91 8.76 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.08 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -69.03 156.16 66.12 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.446 2.097 . . . . 0.0 112.198 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 t -117.01 112.78 40.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.174 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.4 t -112.07 135.29 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 60.49 32.93 20.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 61.0 32.27 19.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -151.34 155.11 38.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 32.2 mt -77.22 132.49 32.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.088 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.595 HD21 HD22 ' A' ' 120' ' ' LEU . 7.6 tt -87.17 122.53 31.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.046 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -67.13 142.23 57.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.784 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.487 ' CA ' HD11 ' A' ' 166' ' ' LEU . 14.0 mt -98.58 -54.45 3.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.974 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -56.93 -51.03 70.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.2 -46.65 89.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.16 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.748 ' O ' HG23 ' A' ' 124' ' ' VAL . 52.3 tp -62.61 -41.68 99.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.021 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.0 t -58.3 -38.73 77.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.078 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.1 mmtm -68.11 -45.03 74.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.08 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 1.032 HG21 HG13 ' A' ' 142' ' ' VAL . 55.1 mt -58.73 -38.67 73.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.368 -179.698 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 120' ' ' LEU . 16.9 t -68.07 -50.29 60.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.101 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.34 -44.8 95.63 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.249 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 35.9 p -56.71 -24.35 48.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.224 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.512 ' CB ' HG22 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -82.77 -24.55 33.41 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.86 179.841 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 151.85 -22.4 0.9 Allowed Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.625 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.632 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 145.38 -61.27 0.48 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.507 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.407 ' CZ ' ' HE2' ' A' ' 159' ' ' LYS . 88.7 t80 -178.83 -59.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.899 0.38 . . . . 0.0 110.821 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -58.96 -37.23 76.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.987 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -61.0 -38.32 85.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.783 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.749 HG12 ' CD1' ' A' ' 139' ' ' TRP . 16.2 t -66.99 -39.91 84.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.056 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.46 -46.01 74.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -61.96 -38.11 87.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.981 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -86.6 -20.67 27.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.039 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 10.2 tttt 65.88 37.1 5.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.914 0.388 . . . . 0.0 110.816 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.78 8.5 28.65 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.358 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.749 ' CD1' HG12 ' A' ' 133' ' ' VAL . 85.8 m95 -62.25 -32.01 72.65 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.796 0.332 . . . . 0.0 110.73 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 7.4 m -60.84 -37.43 82.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.749 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -69.66 -33.38 72.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.8 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 1.032 HG13 HG21 ' A' ' 123' ' ' ILE . 29.9 t -59.95 -47.06 93.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.007 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -64.26 -35.31 91.81 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.415 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 3.2 m -61.24 -37.76 84.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.824 0.345 . . . . 0.0 110.809 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.25 -31.61 72.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 9.3 mp -78.86 -59.32 2.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 156.1 43.99 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.475 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' TYR . . . . . 0.746 ' CE2' HD21 ' A' ' 158' ' ' LEU . 7.8 m-85 -105.58 137.43 43.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.892 0.377 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 24.2 mt -104.65 153.81 38.95 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.58 117.71 5.06 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.516 2.144 . . . . 0.0 112.313 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -131.67 -112.32 1.43 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.534 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -105.66 -60.23 1.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.797 0.332 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 153' ' ' GLY . . . . . 0.51 ' O ' HD23 ' A' ' 157' ' ' LEU . . . -163.87 91.37 0.11 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.414 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 5.2 m -110.66 -30.26 7.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.8 0.334 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -58.42 -41.9 95.49 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.525 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 1.6 m -63.53 -31.22 72.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.883 0.373 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 0.51 HD23 ' O ' ' A' ' 153' ' ' GLY . 4.0 mm? -72.95 -32.64 65.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.954 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.746 HD21 ' CE2' ' A' ' 148' ' ' TYR . 77.3 mt -67.9 -44.94 75.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 159' ' ' LYS . . . . . 0.407 ' HE2' ' CZ ' ' A' ' 130' ' ' PHE . 3.3 tmtt? -61.93 -44.92 95.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.922 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 5.3 m -66.8 -43.1 84.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -65.03 -43.61 91.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 162' ' ' TYR . . . . . 0.439 ' CE2' ' CD1' ' A' ' 167' ' ' TYR . 70.9 t80 -61.37 -49.01 78.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.958 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -90.93 70.16 6.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.36 -41.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.101 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.537 ' CG2' HD21 ' A' ' 105' ' ' LEU . 1.9 mp -129.39 -42.1 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.524 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.487 HD11 ' CA ' ' A' ' 117' ' ' LEU . 1.3 tt -78.03 -57.31 3.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.531 -179.422 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 167' ' ' TYR . . . . . 0.55 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 1.5 t80 -55.29 -55.45 39.49 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.824 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 168' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 10.4 Cg_endo -54.78 -25.72 44.14 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.401 2.068 . . . . 0.0 112.849 -179.375 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 169' ' ' TYR . . . . . 0.544 ' CD2' HD12 ' A' ' 94' ' ' LEU . 27.7 t80 -56.8 -53.19 60.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 110.779 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.94 -50.05 74.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.042 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 0.501 ' H ' HD12 ' A' ' 171' ' ' LEU . 6.2 mp -56.07 -34.0 65.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.16 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -65.32 -31.34 72.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 -66.39 -44.32 83.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.572 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -110.27 26.83 10.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.52 179.561 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.324 -1.264 . . . . 0.0 112.491 180.0 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 15.6 m . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.808 0.337 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -63.23 -49.18 75.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.24 -42.74 99.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.77 -42.91 85.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -58.38 -48.97 78.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.438 HD11 HD13 ' A' ' 117' ' ' LEU . 5.2 mp -60.02 -32.97 71.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.05 -45.44 93.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.939 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 61.7 mm-40 -66.32 -40.05 89.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.542 ' HG ' HD13 ' A' ' 105' ' ' LEU . 56.0 tp -64.97 -45.21 86.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.801 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 1.054 ' HB2' HD22 ' A' ' 105' ' ' LEU . . . -69.85 -43.13 72.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.5 mmtm -66.29 -43.33 86.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.467 ' HA ' HD12 ' A' ' 100' ' ' LEU . 66.8 t80 -63.52 -49.12 74.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.048 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 33.8 m95 -66.02 -36.14 82.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -55.8 -42.59 75.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.039 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' A' ' 97' ' ' PHE . 4.7 mt -60.99 -31.82 71.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.833 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -70.45 -41.72 72.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 112.4 22.87 5.66 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.498 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.09 -27.0 13.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.81 0.338 . . . . 0.0 111.06 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 23.6 m 65.54 105.61 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 1.054 HD22 ' HB2' ' A' ' 95' ' ' ALA . 0.7 OUTLIER -64.31 134.79 55.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.018 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -128.03 132.17 49.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.751 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.0 mp -99.19 96.96 4.68 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.234 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.71 132.98 24.56 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.469 2.113 . . . . 0.0 112.351 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 t -94.91 116.69 36.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.986 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 18.2 t -106.94 123.12 61.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.196 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.552 ' OE2' HD12 ' A' ' 149' ' ' LEU . 7.3 mm-40 59.99 38.44 20.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.38 30.02 19.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.956 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.8 mtmp? -142.51 144.86 33.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.558 ' H ' HD12 ' A' ' 114' ' ' ILE . 3.6 mp -73.74 131.36 35.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.079 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.559 HD23 ' O ' ' A' ' 116' ' ' ASP . 7.9 tt -79.41 119.19 22.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.559 ' O ' HD23 ' A' ' 115' ' ' LEU . 10.1 t0 -60.28 152.45 24.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.823 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.438 HD13 HD11 ' A' ' 91' ' ' LEU . 4.9 mp -124.6 -54.47 1.66 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.08 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -55.24 -51.18 67.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.126 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.19 -47.14 80.92 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.333 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.509 ' CD1' HG11 ' A' ' 142' ' ' VAL . 49.6 tp -58.94 -41.23 86.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.251 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.7 t -58.02 -38.91 77.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.15 -40.18 82.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.105 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.562 HD13 HG13 ' A' ' 142' ' ' VAL . 71.3 mt -58.91 -48.93 84.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.369 -179.527 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.704 HG12 ' O ' ' A' ' 129' ' ' GLY . 19.6 t -57.22 -50.24 77.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.31 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.61 -43.21 99.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.232 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 17.4 p -56.74 -24.83 52.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.258 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.482 ' CB ' HG22 ' A' ' 133' ' ' VAL . 0.2 OUTLIER -84.12 -24.19 30.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.964 179.837 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 148.62 -19.4 1.3 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.668 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.704 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 144.87 -55.62 0.55 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.45 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.446 ' HB2' ' CZ ' ' A' ' 167' ' ' TYR . 12.1 t80 -178.69 -55.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.81 0.338 . . . . 0.0 110.972 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -58.33 -38.62 77.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.925 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.01 -35.08 75.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.482 HG22 ' CB ' ' A' ' 127' ' ' LYS . 30.4 t -67.03 -43.29 89.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.012 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 4.1 m -69.69 -45.4 68.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 36.8 mttt -61.77 -32.68 72.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -92.61 -13.54 29.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.228 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 66.33 31.69 8.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.876 0.37 . . . . 0.0 110.774 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.627 ' O ' HG23 ' A' ' 142' ' ' VAL . 17.3 mmtt -76.76 -13.81 59.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.28 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.428 ' CE2' ' HG2' ' A' ' 159' ' ' LYS . 85.5 m95 -53.05 -38.54 62.53 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.79 0.329 . . . . 0.0 111.107 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 40.8 m -64.22 -40.54 96.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.762 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 9.1 mmmt -68.12 -33.41 74.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.859 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 138' ' ' LYS . 35.4 t -60.44 -48.61 87.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.131 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -60.08 -39.15 95.39 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.523 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 70.4 m -67.07 -36.8 82.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.792 0.329 . . . . 0.0 110.946 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -34.1 76.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -68.66 -58.17 4.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.816 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 145.0 44.98 0.04 OUTLIER Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.58 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' TYR . . . . . 0.505 ' CZ ' HD21 ' A' ' 158' ' ' LEU . 5.2 m-85 -91.64 176.7 6.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.765 0.317 . . . . 0.0 110.999 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.552 HD12 ' OE2' ' A' ' 111' ' ' GLU . 1.5 mt -120.9 154.01 57.51 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.68 98.8 0.8 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.519 2.146 . . . . 0.0 112.264 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -135.92 -160.74 8.96 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.531 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 19.2 mttp -79.83 102.73 9.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.778 0.323 . . . . 0.0 110.943 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 66.33 135.38 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.478 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -159.7 -46.29 0.05 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.795 0.331 . . . . 0.0 110.91 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -63.6 -41.75 99.02 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.544 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 2.3 m -64.49 -32.58 74.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 21.3 mt -65.28 -46.02 82.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.909 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.505 HD21 ' CZ ' ' A' ' 148' ' ' TYR . 75.6 mt -60.5 -42.37 96.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.828 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 159' ' ' LYS . . . . . 0.428 ' HG2' ' CE2' ' A' ' 139' ' ' TRP . 0.0 OUTLIER -65.36 -40.93 94.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.817 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 13.4 m -67.0 -40.81 87.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 51.6 m-70 -72.05 -45.98 58.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 162' ' ' TYR . . . . . 0.604 ' CE2' HG21 ' A' ' 124' ' ' VAL . 75.2 t80 -59.04 -48.07 82.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -88.08 55.1 3.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.763 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 164' ' ' ARG . . . . . 0.501 ' HB3' HD12 ' A' ' 165' ' ' ILE . 0.0 OUTLIER -144.42 -43.94 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.098 -179.859 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.792 HG21 HD12 ' A' ' 105' ' ' LEU . 2.6 mp -131.43 -42.74 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.43 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.488 HD13 ' CE1' ' A' ' 162' ' ' TYR . 0.5 OUTLIER -69.75 -68.01 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.453 -179.535 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 167' ' ' TYR . . . . . 0.559 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 3.1 t80 -48.53 -54.61 24.93 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.978 -179.547 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 168' ' ' PRO . . . . . 0.559 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 10.6 Cg_endo -54.86 -25.48 43.66 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.303 2.002 . . . . 0.0 112.534 -179.651 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 169' ' ' TYR . . . . . 0.465 ' CG ' HD13 ' A' ' 94' ' ' LEU . 17.6 t80 -56.91 -53.2 60.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.829 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.79 -50.06 75.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.925 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 0.54 HD12 ' HA ' ' A' ' 168' ' ' PRO . 7.7 mt -58.87 -40.02 83.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.126 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -58.65 -37.24 75.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.052 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -85.02 -43.02 14.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.991 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 3.0 m -97.18 30.55 2.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.058 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.301 -1.277 . . . . 0.0 112.533 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 8.1 m . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.857 0.361 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.99 -46.17 75.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.22 -43.6 94.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -57.87 -42.04 83.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.118 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -58.05 -50.07 74.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.01 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.7 mp -61.0 -32.9 72.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.96 -46.64 89.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.998 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 -61.46 -42.92 99.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.942 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.701 HD11 ' HA ' ' A' ' 166' ' ' LEU . 0.8 OUTLIER -68.0 -39.61 83.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.796 -179.868 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.742 ' HB2' HD22 ' A' ' 105' ' ' LEU . . . -69.98 -43.06 72.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.172 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.456 ' O ' HD23 ' A' ' 100' ' ' LEU . 1.7 mtmt -71.08 -33.0 69.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.993 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -66.05 -49.27 68.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.007 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.416 ' HD1' HD23 ' A' ' 94' ' ' LEU . 44.5 m95 -66.13 -35.55 80.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.976 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.78 -45.14 78.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.057 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.456 HD23 ' O ' ' A' ' 96' ' ' LYS . 4.0 mm? -63.46 -31.18 72.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.591 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -70.89 -39.23 72.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.757 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 137.58 -9.49 3.72 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.875 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.9 -164.26 1.09 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.856 0.36 . . . . 0.0 110.86 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.0 t -152.4 143.13 22.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.743 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.742 HD22 ' HB2' ' A' ' 95' ' ' ALA . 0.6 OUTLIER -84.21 120.43 26.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -127.81 128.07 44.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.722 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.7 mp -98.53 100.82 10.07 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.271 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.19 -179.75 4.25 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.495 2.13 . . . . 0.0 112.338 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.5 t -124.67 128.03 73.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.032 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 20.6 t -109.67 124.09 66.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.286 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 66.95 -66.84 0.18 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.093 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.42 38.88 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.752 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.53 160.3 34.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.679 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 3.7 mt -86.86 129.55 38.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.181 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 7.6 tt -76.91 103.05 6.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -58.47 159.22 6.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.969 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.814 HD22 HD22 ' A' ' 166' ' ' LEU . 16.3 mt -116.65 -59.78 1.93 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.424 ' CE2' ' HE3' ' A' ' 122' ' ' LYS . 14.5 t80 -57.08 -51.25 70.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.855 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.16 -42.39 99.42 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.078 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.797 ' O ' HG23 ' A' ' 124' ' ' VAL . 31.8 tp -69.04 -33.02 72.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.976 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 37.0 t -69.08 -35.89 77.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.029 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.424 ' HE3' ' CE2' ' A' ' 118' ' ' TYR . 3.2 mttm -67.77 -45.3 75.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.992 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.519 HG22 ' HE2' ' A' ' 127' ' ' LYS . 56.2 mt -58.83 -38.85 75.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.404 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 120' ' ' LEU . 22.7 t -64.93 -50.23 76.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.235 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.33 -44.52 95.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.313 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 59.9 p -56.79 -26.75 58.49 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.251 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.7 ' HD2' HG22 ' A' ' 133' ' ' VAL . 11.2 mttm -84.17 -26.36 28.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.996 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 156.38 -23.98 0.51 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.608 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.562 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 134.63 -49.43 0.9 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.529 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.452 ' CD2' ' CZ ' ' A' ' 167' ' ' TYR . 7.9 t80 -176.72 -53.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.94 0.4 . . . . 0.0 110.893 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -59.68 -42.26 92.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 16.8 mmt -61.02 -39.06 88.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.974 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.7 HG22 ' HD2' ' A' ' 127' ' ' LYS . 20.7 t -66.88 -46.86 84.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.063 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.8 m -69.96 -39.09 76.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.978 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -61.69 -31.79 71.94 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -103.0 -0.53 30.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.447 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp 59.71 30.81 20.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.893 0.378 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.651 ' O ' HG23 ' A' ' 142' ' ' VAL . 0.1 OUTLIER -72.79 -11.92 60.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.296 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 86.9 m95 -53.76 -39.72 65.59 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.851 0.358 . . . . 0.0 111.122 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 75.6 m -69.98 -33.03 71.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.95 -31.75 66.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 138' ' ' LYS . 24.7 t -67.69 -47.16 80.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.106 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -63.96 -40.09 97.93 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.534 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 3.1 m -62.7 -37.29 85.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.837 0.351 . . . . 0.0 110.891 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.05 -31.7 72.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -77.53 -58.47 3.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.949 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 166.23 42.4 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.536 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 148' ' ' TYR . . . . . 0.537 ' CE2' HD21 ' A' ' 158' ' ' LEU . 5.5 m-85 -110.53 133.94 52.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.368 . . . . 0.0 110.877 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 77.4 mt -87.75 150.56 48.47 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.65 93.13 0.6 Allowed 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.485 2.123 . . . . 0.0 112.329 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -117.49 176.87 16.37 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.557 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -65.29 101.43 0.56 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.814 0.34 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 76.5 129.15 0.33 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.471 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -161.53 -44.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 110.913 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -57.05 -37.32 78.78 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.544 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 2.5 m -67.24 -35.88 80.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.774 0.321 . . . . 0.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 3.1 mt -74.03 -46.06 45.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.769 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.537 HD21 ' CE2' ' A' ' 148' ' ' TYR . 6.1 mt -61.65 -44.98 95.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.66 -39.38 94.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 17.8 m -67.11 -46.13 75.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.068 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 26.7 m-70 -71.02 -38.8 72.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.015 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 162' ' ' TYR . . . . . 0.822 ' CD1' HD11 ' A' ' 166' ' ' LEU . 85.1 t80 -68.04 -34.93 77.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.027 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.429 ' HG3' ' CD2' ' A' ' 167' ' ' TYR . 29.7 tt0 -107.41 77.73 1.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.082 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 164' ' ' ARG . . . . . 0.525 ' HG3' HD12 ' A' ' 165' ' ' ILE . 10.0 ptp180 -169.13 -34.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.781 179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.525 HD12 ' HG3' ' A' ' 164' ' ' ARG . 1.5 mt -124.54 -55.39 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.192 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.822 HD11 ' CD1' ' A' ' 162' ' ' TYR . 0.6 OUTLIER -77.49 -36.48 52.66 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -178.927 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 167' ' ' TYR . . . . . 0.531 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 5.1 t80 -68.26 -55.97 11.59 Favored Pre-proline 0 C--N 1.329 -0.295 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.507 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 168' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 10.5 Cg_endo -54.84 -25.86 45.35 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.319 2.013 . . . . 0.0 112.389 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 169' ' ' TYR . . . . . 0.426 ' CD1' ' HG ' ' A' ' 94' ' ' LEU . 88.4 t80 -59.04 -53.16 61.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.821 0.344 . . . . 0.0 110.679 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.07 -50.18 75.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.821 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 0.41 HD22 ' N ' ' A' ' 171' ' ' LEU . 4.0 mm? -58.94 -33.94 71.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -57.35 -41.93 81.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.938 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -85.08 -40.55 16.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.056 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 2.5 m -97.85 31.39 2.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.979 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.404 -1.22 . . . . 0.0 112.584 -179.964 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 18.7 m . . . . . 0 N--CA 1.458 -0.045 0 CA-C-O 120.88 0.372 . . . . 0.0 111.262 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -50.04 70.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.45 -40.4 96.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -57.84 -42.53 84.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -59.8 -42.05 92.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.096 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.423 HD22 HD12 ' A' ' 117' ' ' LEU . 31.4 mt -66.81 -40.3 88.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -61.06 -42.45 98.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -62.82 -43.24 99.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.956 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.706 HD22 ' CD1' ' A' ' 105' ' ' LEU . 0.5 OUTLIER -67.91 -38.9 83.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.475 ' HB2' ' HB3' ' A' ' 105' ' ' LEU . . . -67.2 -43.96 80.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.213 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -64.91 -43.16 93.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.56 ' HA ' HD12 ' A' ' 100' ' ' LEU . 55.1 t80 -60.19 -49.01 79.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.054 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.565 ' HD1' HD23 ' A' ' 94' ' ' LEU . 29.5 m95 -65.74 -38.42 89.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.037 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -55.85 -43.16 76.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.036 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.56 HD12 ' HA ' ' A' ' 97' ' ' PHE . 5.3 mt -59.03 -28.54 66.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.702 179.72 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -78.95 -45.3 20.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.837 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.91 -16.36 1.2 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.795 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.03 -165.48 1.36 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.76 0.314 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.402 ' O ' HG23 ' A' ' 104' ' ' THR . 9.6 t -160.99 121.73 2.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.826 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.706 ' CD1' HD22 ' A' ' 94' ' ' LEU . 0.5 OUTLIER -64.4 118.53 8.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.05 109.96 12.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.502 ' H ' HD12 ' A' ' 107' ' ' ILE . 3.2 mp -69.29 111.63 9.26 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.205 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -76.92 165.62 28.15 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.455 2.104 . . . . 0.0 112.458 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 t -114.17 105.89 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.038 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.4 t -111.42 136.5 47.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.319 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 57.91 37.1 26.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.056 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.59 29.62 18.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.846 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.31 156.65 42.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.804 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 6.3 mt -71.71 140.53 18.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.041 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.476 HD11 HD23 ' A' ' 158' ' ' LEU . 2.8 tt -92.51 100.47 13.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -60.24 137.16 58.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.725 HD22 HD23 ' A' ' 166' ' ' LEU . 21.1 mt -102.07 -47.96 4.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -60.46 -51.31 70.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.79 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.91 -45.31 95.15 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.241 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.871 ' O ' HG23 ' A' ' 124' ' ' VAL . 13.6 tp -58.53 -33.02 69.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.053 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.3 t -67.99 -41.54 82.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.982 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -68.03 -43.04 79.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.035 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.956 HG21 HG13 ' A' ' 142' ' ' VAL . 10.7 mt -58.76 -49.12 83.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.303 -179.621 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.871 HG23 ' O ' ' A' ' 120' ' ' LEU . 20.1 t -59.34 -50.05 81.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.207 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.28 -43.99 83.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.278 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 51.5 p -56.85 -27.03 59.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.148 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -83.15 -26.26 31.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.832 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 155.52 -23.73 0.57 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.629 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.609 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 141.28 -56.87 0.59 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.47 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -179.24 -57.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.762 0.315 . . . . 0.0 110.815 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -60.1 -36.26 77.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.08 -39.3 89.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.737 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 15.8 t -66.99 -40.08 84.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.059 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.3 m -69.75 -43.69 71.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -61.79 -37.97 86.34 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -89.8 -17.3 28.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 67.4 39.34 2.96 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.802 0.335 . . . . 0.0 110.851 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 3.4 mmmt -96.04 19.56 11.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.128 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.411 ' CD1' ' HD2' ' A' ' 159' ' ' LYS . 63.3 m95 -67.1 -36.87 82.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.814 0.34 . . . . 0.0 110.881 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.08 -36.4 83.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.965 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.53 -38.5 91.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.769 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.956 HG13 HG21 ' A' ' 123' ' ' ILE . 32.4 t -60.37 -48.63 87.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.061 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -60.65 -36.21 91.11 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.432 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 12.7 m -63.17 -35.81 81.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.329 . . . . 0.0 110.976 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.93 -34.1 73.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.939 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 2.8 mt -72.28 -69.45 0.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.744 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 158.41 41.13 0.02 OUTLIER Glycine 0 N--CA 1.453 -0.196 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.49 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -112.2 113.72 26.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.703 0.287 . . . . 0.0 110.924 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 37.7 mt -59.76 117.76 25.86 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.823 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -55.94 -166.43 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.504 2.136 . . . . 0.0 112.289 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 134.85 -108.86 0.73 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.437 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -124.53 103.6 8.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.765 0.316 . . . . 0.0 110.868 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 102.37 -132.5 11.02 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.492 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 9.5 m 69.34 -63.62 0.37 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.765 0.317 . . . . 0.0 111.227 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -56.9 -34.01 64.63 Favored Glycine 0 C--N 1.329 0.168 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.54 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 39.8 m -65.39 -40.68 93.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.908 0.385 . . . . 0.0 110.77 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 2.3 mt -72.39 -32.12 66.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.476 HD23 HD11 ' A' ' 115' ' ' LEU . 23.4 mt -62.41 -44.87 95.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.931 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 159' ' ' LYS . . . . . 0.411 ' HD2' ' CD1' ' A' ' 139' ' ' TRP . 2.1 mtpt -60.97 -47.48 86.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 40.1 m -67.11 -46.01 75.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.977 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -64.8 -38.01 89.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.967 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 162' ' ' TYR . . . . . 0.797 ' CD1' HD11 ' A' ' 166' ' ' LEU . 80.2 t80 -70.03 -49.13 54.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.966 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.409 ' HA ' ' CB ' ' A' ' 167' ' ' TYR . 4.3 tm-20 -95.12 72.88 3.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 -164.93 -35.33 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.566 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.491 HG21 HD12 ' A' ' 105' ' ' LEU . 3.3 mt -121.76 -63.8 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -179.446 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.797 HD11 ' CD1' ' A' ' 162' ' ' TYR . 3.8 pp -71.03 -47.09 60.6 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -178.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 167' ' ' TYR . . . . . 0.688 ' N ' HD12 ' A' ' 166' ' ' LEU . 2.0 t80 -56.11 -56.06 35.03 Favored Pre-proline 0 C--N 1.329 -0.32 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -179.302 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 168' ' ' PRO . . . . . 0.693 ' HA ' HD12 ' A' ' 171' ' ' LEU . 18.5 Cg_endo -59.57 -25.99 80.61 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.279 1.986 . . . . 0.0 112.607 -179.684 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -57.37 -53.18 61.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.885 0.374 . . . . 0.0 110.877 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.34 -50.25 74.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.01 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 0.693 HD12 ' HA ' ' A' ' 168' ' ' PRO . 2.3 mt -59.88 -35.21 74.35 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.108 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -57.25 -40.89 78.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.056 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -84.98 -39.68 17.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.037 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 8.6 m -98.04 30.76 2.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.03 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.342 -1.254 . . . . 0.0 112.47 -179.916 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 31.5 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.753 0.311 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.87 -42.9 89.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 15.5 mt -61.66 -44.82 96.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.87 -42.08 83.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.005 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -58.98 -42.65 90.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.536 HD11 HD12 ' A' ' 117' ' ' LEU . 4.0 mm? -64.95 -32.89 74.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.68 -40.91 96.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -61.03 -43.6 98.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.555 HD13 HD12 ' A' ' 166' ' ' LEU . 0.3 OUTLIER -68.08 -41.28 82.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.408 ' CB ' ' HB3' ' A' ' 105' ' ' LEU . . . -68.09 -36.09 79.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.246 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 16.0 mmtm -75.04 -37.49 61.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.041 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -66.16 -48.98 68.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.103 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 43.9 m95 -64.91 -34.43 78.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.988 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.75 -45.08 78.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.889 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.2 mt -61.25 -27.95 68.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.647 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -79.61 -39.59 31.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.67 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 134.63 -6.64 4.53 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.844 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.4 m -92.35 -169.65 2.29 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.932 0.396 . . . . 0.0 110.927 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.5 t -150.87 117.02 5.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.986 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.584 ' C ' HD13 ' A' ' 105' ' ' LEU . 2.5 tm? -65.78 114.95 5.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.02 110.07 12.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 6.6 pt -73.93 110.85 10.18 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.084 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.41 149.28 68.93 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.46 2.107 . . . . 0.0 112.272 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.9 t -97.46 116.4 39.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.092 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 20.2 t -117.67 136.33 55.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.192 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 59.87 35.19 21.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 59.82 29.8 19.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.824 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.57 165.4 33.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 27.7 mt -74.95 138.47 20.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.21 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 8.1 tt -91.63 117.54 29.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.958 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.601 ' HB2' HD21 ' A' ' 146' ' ' LEU . 6.6 t0 -65.48 136.76 56.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.571 ' HB3' HD13 ' A' ' 166' ' ' LEU . 34.9 mt -109.24 -46.6 3.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.968 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -59.76 -51.19 70.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.083 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -59.9 -47.11 87.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.337 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.835 ' O ' HG23 ' A' ' 124' ' ' VAL . 40.6 tp -58.5 -34.61 71.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 37.7 t -63.67 -44.64 93.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.112 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -68.05 -40.86 82.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.142 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.997 HG21 HG13 ' A' ' 142' ' ' VAL . 13.8 mt -58.8 -44.97 91.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.447 -179.654 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.835 HG23 ' O ' ' A' ' 120' ' ' LEU . 21.7 t -60.37 -50.36 80.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.314 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.71 -47.05 87.01 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.44 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.2 p -56.89 -25.31 56.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.323 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -82.73 -25.93 32.42 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 157.91 -25.55 0.43 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.522 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.65 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 140.71 -60.22 0.56 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.497 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.432 ' CZ ' ' HD3' ' A' ' 159' ' ' LYS . 16.6 t80 -176.8 -58.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.891 0.377 . . . . 0.0 111.037 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -59.52 -41.63 90.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.06 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.4 ttm -60.92 -36.35 79.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.999 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.641 HG13 ' HB2' ' A' ' 138' ' ' LYS . 21.5 t -67.06 -44.76 87.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.202 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.7 m -70.04 -34.03 72.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 3.3 mmmt -61.75 -37.02 82.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.081 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -104.32 4.29 33.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.473 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 5.6 tptm 57.0 31.79 20.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.784 0.326 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.641 ' HB2' HG13 ' A' ' 133' ' ' VAL . 3.4 mtmt -69.28 -12.39 61.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.397 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.434 ' CD1' HG12 ' A' ' 133' ' ' VAL . 96.1 m95 -53.16 -34.42 56.78 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.74 0.305 . . . . 0.0 111.099 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 58.3 m -65.21 -37.51 87.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 10.9 mtmm -70.17 -32.51 70.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.813 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.997 HG13 HG21 ' A' ' 123' ' ' ILE . 21.7 t -59.46 -46.73 92.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.13 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -63.57 -40.92 99.2 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.494 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 4.6 m -59.92 -35.89 75.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.777 0.322 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 14.3 mtt180 -71.29 -33.98 70.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.866 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.601 HD21 ' HB2' ' A' ' 116' ' ' ASP . 0.2 OUTLIER -74.84 -67.47 0.64 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 171.01 40.09 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.42 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -112.98 159.74 18.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.784 0.326 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 18.5 mt -111.96 151.63 43.68 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.934 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.35 89.86 0.58 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.526 2.151 . . . . 0.0 112.241 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -103.27 -148.9 20.51 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.452 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 46.7 mmtt -90.4 -45.08 9.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.801 0.334 . . . . 0.0 110.86 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -141.44 100.12 0.26 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.546 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 4.3 m -137.88 -49.44 0.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.856 0.36 . . . . 0.0 110.925 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 155' ' ' GLY . . . . . 0.671 ' HA2' HD12 ' A' ' 158' ' ' LEU . . . -59.27 -33.93 77.81 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.5 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 1.5 m -65.62 -40.21 92.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.812 0.339 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 2.2 mp -68.47 -39.3 81.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.934 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.671 HD12 ' HA2' ' A' ' 155' ' ' GLY . 24.4 mt -59.99 -39.5 85.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.923 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 159' ' ' LYS . . . . . 0.432 ' HD3' ' CZ ' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -70.16 -40.85 74.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 47.9 m -66.93 -46.03 76.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -67.8 -44.64 76.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 162' ' ' TYR . . . . . 0.639 ' CE1' HD23 ' A' ' 166' ' ' LEU . 73.1 t80 -59.86 -43.63 94.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -99.77 73.83 1.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -167.97 -39.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.335 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.501 ' O ' HD21 ' A' ' 94' ' ' LEU . 1.5 mt -126.07 -38.06 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.696 -179.648 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.639 HD23 ' CE1' ' A' ' 162' ' ' TYR . 11.7 tp -85.92 -59.94 2.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.83 0.348 . . . . 0.0 111.504 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 167' ' ' TYR . . . . . 0.473 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 1.7 t80 -47.57 -46.91 60.6 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.871 -179.548 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 168' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 167' ' ' TYR . 52.2 Cg_exo -54.6 -31.5 70.5 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.231 1.954 . . . . 0.0 112.488 -179.688 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 169' ' ' TYR . . . . . 0.433 ' HB2' HD11 ' A' ' 94' ' ' LEU . 21.2 t80 -57.01 -53.17 61.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.084 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.99 -50.33 73.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.63 -33.96 74.85 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.036 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -58.04 -36.27 72.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.083 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -85.11 -43.74 13.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.027 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 6.2 m -97.1 30.85 2.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.447 -1.196 . . . . 0.0 112.45 179.997 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 28.6 m . . . . . 0 N--CA 1.456 -0.135 0 CA-C-O 120.863 0.363 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.418 ' O ' HD12 ' A' ' 91' ' ' LEU . 9.7 ttt180 -66.65 -48.46 69.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.74 -42.2 92.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.769 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.96 -38.66 76.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.02 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.42 ' CD2' ' CD2' ' A' ' 118' ' ' TYR . 47.9 t80 -60.52 -41.99 95.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.941 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.59 HD23 HD21 ' A' ' 105' ' ' LEU . 0.8 OUTLIER -65.66 -33.12 75.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.803 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -60.96 -43.66 98.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.87 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -68.35 -47.36 67.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.789 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.855 HD22 HD12 ' A' ' 105' ' ' LEU . 5.3 tt -62.56 -38.95 92.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.939 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.65 -46.08 66.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.43 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.98 -35.42 72.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.207 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.455 ' O ' ' NE2' ' A' ' 101' ' ' GLN . 14.7 t80 -67.04 -49.05 66.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.154 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 36.3 m95 -66.05 -36.23 82.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.809 0.338 . . . . 0.0 111.001 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.65 -40.55 72.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.976 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.7 mt -59.04 -30.72 68.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.636 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 97' ' ' PHE . 1.2 mp0 -76.0 -44.39 39.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.693 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 146.02 -15.39 1.73 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.719 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.78 -161.77 0.89 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.691 0.281 . . . . 0.0 110.794 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.69 141.14 17.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.853 0.359 . . . . 0.0 110.788 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.855 HD12 HD22 ' A' ' 94' ' ' LEU . 0.9 OUTLIER -62.91 124.16 20.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.653 179.91 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.12 132.48 48.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.898 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.549 HD11 HD21 ' A' ' 105' ' ' LEU . 1.3 mp -114.08 81.75 6.5 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.212 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.67 149.2 32.99 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.446 2.097 . . . . 0.0 112.311 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 t -96.4 119.11 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.101 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 20.6 t -106.92 125.21 62.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.193 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 60.0 38.14 20.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.804 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 2.8 mtt85 60.15 31.58 20.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 18.1 mmtt -147.56 143.95 28.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 23.3 mt -78.34 123.12 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.042 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.4 HD13 ' OH ' ' A' ' 148' ' ' TYR . 45.9 tp -81.89 136.21 35.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.821 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -66.55 158.2 30.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.643 ' CA ' HD11 ' A' ' 166' ' ' LEU . 25.7 mt -114.38 -66.23 1.11 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.969 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.42 ' CD2' ' CD2' ' A' ' 90' ' ' PHE . 1.1 t80 -56.1 -51.01 69.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -58.39 -37.25 74.91 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.158 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.734 ' HA ' HD12 ' A' ' 123' ' ' ILE . 32.3 tp -65.06 -48.97 71.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.887 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 29.4 t -59.09 -34.99 72.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.966 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -66.84 -45.54 77.9 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.045 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.734 HD12 ' HA ' ' A' ' 120' ' ' LEU . 7.8 mt -58.81 -39.23 76.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.183 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.702 HG21 ' CE2' ' A' ' 162' ' ' TYR . 30.6 t -60.24 -50.2 81.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.143 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -56.9 -44.82 82.74 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.267 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 52.2 p -56.84 -21.9 32.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.445 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.822 ' HB2' HG22 ' A' ' 133' ' ' VAL . 24.1 mmtt -86.23 -31.43 21.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.856 0.36 . . . . 0.0 110.697 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 143.88 40.57 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.63 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.564 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 86.51 -66.98 3.54 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.761 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.409 ' CZ ' ' HD3' ' A' ' 159' ' ' LYS . 8.0 t80 -176.27 -53.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.718 0.294 . . . . 0.0 111.056 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -56.79 -42.38 79.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.178 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 10.6 mmt -60.96 -33.71 73.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.822 HG22 ' HB2' ' A' ' 127' ' ' LYS . 21.1 t -61.4 -47.7 92.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.084 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 7.2 m -68.42 -45.2 73.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.797 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.72 -31.94 72.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -93.65 -17.26 23.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.175 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp 67.88 36.51 3.43 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.824 0.345 . . . . 0.0 110.816 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.538 ' O ' HG23 ' A' ' 142' ' ' VAL . 13.6 mmtm -87.95 -1.75 58.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.392 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.489 ' CD1' HG12 ' A' ' 133' ' ' VAL . 71.0 m95 -59.12 -38.0 78.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.848 0.356 . . . . 0.0 110.838 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.7 m -63.98 -36.84 85.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 27.2 mttm -68.27 -32.34 72.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.941 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.575 HG13 HG21 ' A' ' 123' ' ' ILE . 21.6 t -65.75 -42.42 92.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -68.91 -41.87 80.61 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.573 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 13.9 m -60.32 -36.48 78.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.894 0.378 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.55 -31.63 71.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.849 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 146' ' ' LEU . 1.7 mm? -67.07 -60.74 2.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.777 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 154.93 56.42 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.519 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 148' ' ' TYR . . . . . 0.686 ' CZ ' HD21 ' A' ' 158' ' ' LEU . 4.9 m-85 -109.23 118.89 37.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.849 0.357 . . . . 0.0 110.865 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 20.6 mt -63.7 130.29 94.29 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.831 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.16 162.02 3.17 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.491 2.127 . . . . 0.0 112.252 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 140.87 -92.58 0.18 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.504 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.88 171.86 8.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.79 0.328 . . . . 0.0 110.977 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -81.2 126.8 7.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.514 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 154' ' ' THR . . . . . 0.705 HG23 HD12 ' A' ' 157' ' ' LEU . 0.9 OUTLIER -129.57 12.61 5.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.682 0.277 . . . . 0.0 111.314 179.906 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 155' ' ' GLY . . . . . 0.696 ' HA2' HD12 ' A' ' 158' ' ' LEU . . . -74.99 -42.03 30.9 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.49 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 43.6 m -65.16 -31.76 73.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.79 0.328 . . . . 0.0 110.939 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 0.705 HD12 HG23 ' A' ' 154' ' ' THR . 75.3 mt -67.11 -43.46 82.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.696 HD12 ' HA2' ' A' ' 155' ' ' GLY . 5.0 mt -59.23 -43.38 92.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.962 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 159' ' ' LYS . . . . . 0.409 ' HD3' ' CZ ' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -60.15 -36.11 76.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 3.1 m -66.96 -45.33 78.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.007 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -66.82 -47.9 70.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 162' ' ' TYR . . . . . 0.702 ' CE2' HG21 ' A' ' 124' ' ' VAL . 20.6 t80 -59.43 -49.01 79.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.812 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -89.79 68.65 7.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.709 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -163.63 -40.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.035 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.633 HG22 HD21 ' A' ' 94' ' ' LEU . 2.7 mp -135.29 -43.04 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.47 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.643 HD11 ' CA ' ' A' ' 117' ' ' LEU . 0.6 OUTLIER -71.37 -60.59 2.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.348 -179.599 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 167' ' ' TYR . . . . . 0.534 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 1.9 t80 -56.56 -56.16 35.13 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.745 -179.579 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 168' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 10.8 Cg_endo -55.01 -29.52 65.28 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.254 1.969 . . . . 0.0 112.546 -179.6 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 169' ' ' TYR . . . . . 0.853 ' CD2' HD12 ' A' ' 94' ' ' LEU . 19.3 t80 -58.82 -53.05 62.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.912 0.387 . . . . 0.0 110.813 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.49 -50.32 74.17 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 168' ' ' PRO . 5.9 mt -58.37 -36.87 74.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.011 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -57.98 -34.98 70.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -77.59 -44.0 29.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.971 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 44.4 m -100.5 30.43 3.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.971 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.361 -1.244 . . . . 0.0 112.448 -179.873 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 28.5 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.824 0.345 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -65.97 -40.83 91.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.547 HD13 ' O ' ' A' ' 88' ' ' LEU . 0.3 OUTLIER -67.0 -46.21 75.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.892 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -58.84 -43.14 90.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -61.58 -48.14 82.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.08 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.475 HD22 HD21 ' A' ' 105' ' ' LEU . 23.0 mt -59.98 -32.95 71.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.951 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.08 -46.39 89.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -64.31 -47.95 77.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.978 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.899 HD22 HD12 ' A' ' 105' ' ' LEU . 1.0 OUTLIER -67.97 -40.16 83.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.995 -179.859 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.82 -36.58 75.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.224 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -75.07 -39.06 61.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.063 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -62.11 -49.11 77.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.139 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.549 ' HD1' HD23 ' A' ' 94' ' ' LEU . 44.5 m95 -65.94 -35.42 80.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.951 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -55.91 -44.97 78.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.13 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 82.8 mt -60.9 -30.64 70.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.728 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -72.4 -41.59 66.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.799 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 141.63 -12.4 2.69 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.781 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.4 m -98.83 -163.34 1.03 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.725 0.262 . . . . 0.0 111.035 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.3 m -156.37 130.37 8.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.892 0.377 . . . . 0.0 110.894 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.899 HD12 HD22 ' A' ' 94' ' ' LEU . 5.0 tt -62.96 123.95 19.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.835 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -124.39 132.1 53.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.975 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.1 mp -101.77 92.25 2.78 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.108 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.18 169.62 14.88 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.534 2.156 . . . . 0.0 112.275 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.5 t -110.96 121.5 63.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.185 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.3 t -106.87 120.93 58.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 60.93 36.97 18.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.821 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.98 30.52 18.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.841 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 19.0 tttm -145.25 151.12 37.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.961 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 26.1 mt -74.83 125.19 34.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.33 125.83 32.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.019 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -59.67 156.23 14.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.795 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.563 ' HB3' HD11 ' A' ' 166' ' ' LEU . 1.0 OUTLIER -118.31 -66.1 1.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.037 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -55.9 -51.2 68.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.47 -38.0 82.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.199 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.78 ' HA ' HD12 ' A' ' 123' ' ' ILE . 26.4 tp -62.53 -37.11 84.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.067 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 9.4 t -66.72 -38.79 87.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.072 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -67.63 -41.58 83.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.921 HG21 HG13 ' A' ' 142' ' ' VAL . 12.7 mt -58.84 -43.49 88.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.37 -179.643 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 120' ' ' LEU . 17.4 t -58.91 -50.04 80.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.713 0.292 . . . . 0.0 111.073 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.06 -46.91 82.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.406 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 38.2 p -56.79 -21.05 25.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.574 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.641 ' CB ' HG22 ' A' ' 133' ' ' VAL . 40.2 mmtt -88.43 -40.62 13.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.926 0.393 . . . . 0.0 110.853 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 155.55 42.72 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.504 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.655 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 82.88 -65.75 4.07 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.597 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -179.61 -57.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.823 0.344 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -56.93 -31.18 64.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.999 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 37.9 tpp -66.26 -36.82 83.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.641 HG22 ' CB ' ' A' ' 127' ' ' LYS . 18.7 t -66.97 -41.8 87.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.159 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 5.3 m -69.73 -44.44 70.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.993 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 13.5 mmtp -61.64 -37.79 85.32 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.04 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -92.8 -12.87 30.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.291 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 5.4 tttt 65.65 36.28 6.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.76 0.314 . . . . 0.0 110.802 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -81.88 -1.18 46.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.421 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.447 ' CE2' ' HG2' ' A' ' 159' ' ' LYS . 88.3 m95 -58.54 -34.88 71.5 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.845 0.355 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 68.9 m -60.62 -35.63 76.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -72.08 -33.91 68.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.921 HG13 HG21 ' A' ' 123' ' ' ILE . 21.7 t -59.6 -47.16 92.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -64.09 -39.12 96.89 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.449 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 37.4 m -59.42 -40.5 86.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.876 0.369 . . . . 0.0 110.996 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 30.3 mtt85 -62.71 -31.14 72.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 7.8 mt -79.53 -55.67 4.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.967 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 157.2 50.73 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.476 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 148' ' ' TYR . . . . . 0.671 ' CZ ' HD21 ' A' ' 158' ' ' LEU . 4.9 m-85 -112.4 146.02 39.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.747 0.308 . . . . 0.0 110.968 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 8.5 mt -109.07 137.78 20.23 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.87 115.72 2.53 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.552 2.168 . . . . 0.0 112.318 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -135.86 -126.26 2.56 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.457 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -80.28 -28.87 38.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.811 0.339 . . . . 0.0 110.936 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 169.71 -87.59 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.583 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 154' ' ' THR . . . . . 0.412 ' HA ' HD13 ' A' ' 157' ' ' LEU . 10.0 m 72.48 4.62 5.05 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 111.574 0.212 . . . . 0.0 111.574 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -75.26 -42.08 29.39 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.514 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 18.1 m -63.88 -35.85 81.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.704 0.288 . . . . 0.0 110.934 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' A' ' 154' ' ' THR . 3.6 mp -63.95 -46.01 86.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.914 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.671 HD21 ' CZ ' ' A' ' 148' ' ' TYR . 79.7 mt -67.36 -40.67 85.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.957 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 159' ' ' LYS . . . . . 0.447 ' HG2' ' CE2' ' A' ' 139' ' ' TRP . 0.0 OUTLIER -70.38 -43.79 69.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 41.8 m -66.96 -42.25 85.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.056 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -63.89 -37.26 86.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.219 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 162' ' ' TYR . . . . . 0.518 ' CZ ' HG21 ' A' ' 124' ' ' VAL . 80.1 t80 -73.06 -41.33 64.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -99.12 73.15 1.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.018 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 1.2 ttt85 -167.81 -40.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.188 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.711 ' O ' HD21 ' A' ' 94' ' ' LEU . 1.5 mp -126.58 -36.72 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.68 -179.682 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.68 ' HA ' HD11 ' A' ' 94' ' ' LEU . 0.5 OUTLIER -87.33 -62.02 1.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.348 . . . . 0.0 111.54 -179.404 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 167' ' ' TYR . . . . . 0.552 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 2.0 t80 -50.16 -55.04 27.59 Favored Pre-proline 0 C--N 1.329 -0.298 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -179.367 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 168' ' ' PRO . . . . . 0.552 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 10.4 Cg_endo -54.67 -25.96 44.33 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.308 2.005 . . . . 0.0 112.75 -179.466 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 169' ' ' TYR . . . . . 0.431 ' CG ' ' HG ' ' A' ' 94' ' ' LEU . 25.4 t80 -60.13 -53.22 60.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.876 0.37 . . . . 0.0 110.805 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -58.58 -50.15 74.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.966 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 17.3 mt -57.81 -34.48 69.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.995 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -59.1 -38.43 79.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -84.79 -42.71 14.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.018 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 12.8 m -97.9 31.2 2.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.032 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.087 0 CA-C-O 118.324 -1.265 . . . . 0.0 112.428 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 14.0 m . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.818 0.342 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.6 mtt180 -67.08 -49.77 63.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.4 mp -65.43 -43.71 89.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.8 -43.12 85.44 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -60.28 -50.08 75.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.932 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.442 ' CD2' HD12 ' A' ' 117' ' ' LEU . 5.8 mt -60.46 -32.81 71.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.83 -47.12 87.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.992 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -64.47 -36.37 83.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.96 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.696 HD12 ' CD2' ' A' ' 169' ' ' TYR . 2.7 tp -62.71 -51.1 68.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.086 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.2 -44.74 68.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.476 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.539 ' O ' HD12 ' A' ' 100' ' ' LEU . 3.6 mtpt -65.07 -45.05 86.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.31 -179.587 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.459 ' O ' ' NE2' ' A' ' 101' ' ' GLN . 58.0 t80 -59.26 -49.09 79.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.147 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.461 ' HA ' ' NE2' ' A' ' 101' ' ' GLN . 38.1 m95 -66.04 -32.94 74.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.934 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -55.76 -37.93 69.17 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.083 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.539 HD12 ' O ' ' A' ' 96' ' ' LYS . 0.8 OUTLIER -58.97 -36.95 75.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.461 ' NE2' ' HA ' ' A' ' 98' ' ' TRP . 1.7 mp0 -68.95 -43.03 75.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.867 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 112.02 23.5 5.52 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.53 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.7 -28.29 14.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.788 0.328 . . . . 0.0 110.956 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 7.8 m 65.3 99.73 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.849 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.444 HD12 ' CD1' ' A' ' 98' ' ' TRP . 0.3 OUTLIER -68.0 122.75 18.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.064 -179.892 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -128.03 109.87 11.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.704 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 2.6 mp -57.94 108.79 1.4 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.318 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -71.98 142.21 38.17 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.363 2.042 . . . . 0.0 112.349 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 t -93.67 128.94 44.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.98 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.702 HG21 HD12 ' A' ' 115' ' ' LEU . 20.3 t -129.1 127.97 66.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.13 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 59.58 35.57 22.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 25.0 mtt180 61.27 31.09 19.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.65 153.91 38.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.883 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 31.0 mm -71.66 133.99 30.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.064 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.702 HD12 HG21 ' A' ' 110' ' ' VAL . 6.7 tt -88.56 108.56 19.48 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.62 ' O ' HD23 ' A' ' 115' ' ' LEU . 6.3 t70 -59.67 145.77 43.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.857 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.526 HD13 HD22 ' A' ' 94' ' ' LEU . 90.3 mt -106.66 -57.18 2.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.928 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -54.88 -51.19 66.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.991 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -58.34 -46.82 85.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.39 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.585 ' O ' HG23 ' A' ' 124' ' ' VAL . 58.4 tp -64.45 -41.95 96.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.177 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.0 t -58.02 -37.73 74.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.136 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 15.5 mtpt -68.04 -43.46 78.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.16 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 54.3 mt -58.79 -43.64 88.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.491 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.955 HG21 ' CE2' ' A' ' 162' ' ' TYR . 21.4 t -58.19 -50.16 79.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.297 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.32 -47.09 86.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 19.3 p -57.79 -20.97 39.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.476 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.663 ' CB ' HG22 ' A' ' 133' ' ' VAL . 6.4 mttp -87.2 -33.48 19.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.99 0.424 . . . . 0.0 110.882 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 146.27 41.83 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.528 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.718 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 84.55 -66.03 3.96 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.744 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.446 ' CZ ' ' HD3' ' A' ' 159' ' ' LYS . 10.3 t80 -177.48 -55.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.868 0.366 . . . . 0.0 111.042 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -56.78 -31.38 64.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.097 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.9 mtp -64.35 -38.24 90.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.692 HG13 ' HB2' ' A' ' 138' ' ' LYS . 22.0 t -66.97 -43.52 89.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.88 -42.22 73.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.984 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -61.79 -30.67 70.96 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.05 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -103.75 -3.84 24.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.405 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 8.2 tttp 61.57 36.1 17.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.853 0.359 . . . . 0.0 110.755 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.692 ' HB2' HG13 ' A' ' 133' ' ' VAL . 15.2 mmtt -76.48 -9.86 58.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.434 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 86.5 m95 -53.98 -35.99 62.43 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.893 0.378 . . . . 0.0 111.003 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 19.6 m -66.94 -33.06 74.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.741 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.97 -32.36 67.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 22.9 t -61.91 -46.9 95.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.104 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -61.96 -43.64 98.9 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.58 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 58.5 m -58.94 -39.79 82.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.817 0.342 . . . . 0.0 110.962 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -72.0 -34.09 68.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.019 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.833 HD22 ' CE2' ' A' ' 148' ' ' TYR . 0.2 OUTLIER -69.15 -29.36 67.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.973 -179.89 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 114.36 20.47 5.87 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.733 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 148' ' ' TYR . . . . . 0.833 ' CE2' HD22 ' A' ' 146' ' ' LEU . 69.9 m-85 -78.39 123.13 26.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.72 0.295 . . . . 0.0 110.802 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 54.8 mt -56.67 148.84 44.55 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.018 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -69.1 136.54 35.02 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.573 2.182 . . . . 0.0 112.339 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 172.43 -169.71 42.81 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.432 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -74.39 155.41 38.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.747 0.308 . . . . 0.0 110.938 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 61.82 -122.41 28.72 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.465 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 24.9 m 67.42 -70.06 0.12 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.646 0.26 . . . . 0.0 110.957 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 155' ' ' GLY . . . . . 0.537 ' HA2' HD12 ' A' ' 158' ' ' LEU . . . -63.51 -36.03 92.82 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.502 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 12.2 m -67.37 -40.34 85.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.786 0.327 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 8.1 mp -70.45 -36.8 74.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.537 HD12 ' HA2' ' A' ' 155' ' ' GLY . 11.4 mt -62.77 -38.01 88.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.81 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 159' ' ' LYS . . . . . 0.446 ' HD3' ' CZ ' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -67.71 -41.77 83.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 16.5 m -67.05 -45.89 76.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 -64.08 -47.65 79.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.831 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 162' ' ' TYR . . . . . 0.955 ' CE2' HG21 ' A' ' 124' ' ' VAL . 14.6 t80 -59.28 -41.77 89.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -94.31 43.85 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.815 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.1 -42.75 1.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 1.8 mp -134.13 -44.54 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.268 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.572 HD13 ' CD1' ' A' ' 162' ' ' TYR . 1.8 tt -63.13 -65.36 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.51 -179.49 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 167' ' ' TYR . . . . . 0.556 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 3.6 t80 -55.08 -55.05 43.42 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.886 -179.403 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 168' ' ' PRO . . . . . 0.562 ' HA ' HD12 ' A' ' 171' ' ' LEU . 10.5 Cg_endo -54.87 -25.74 44.97 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.334 2.023 . . . . 0.0 112.635 -179.355 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 169' ' ' TYR . . . . . 0.696 ' CD2' HD12 ' A' ' 94' ' ' LEU . 49.0 t80 -56.86 -53.14 61.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.895 0.378 . . . . 0.0 110.83 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -56.86 -50.14 73.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.974 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 0.562 HD12 ' HA ' ' A' ' 168' ' ' PRO . 13.4 mt -55.96 -38.63 70.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.112 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -58.71 -37.64 76.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.959 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -85.14 -42.67 14.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.982 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 58.4 m -97.72 31.02 2.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.06 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.372 -1.238 . . . . 0.0 112.541 179.883 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 30.5 m . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.78 0.324 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.6 -44.08 97.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.963 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.82 -43.64 92.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -57.94 -42.99 86.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.086 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -63.03 -43.08 99.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.8 tp -60.14 -32.85 71.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.75 -45.6 81.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.026 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -71.41 -33.25 69.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.908 HD12 ' CD2' ' A' ' 169' ' ' TYR . 11.6 tp -66.91 -51.07 59.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.527 ' HB2' HD22 ' A' ' 105' ' ' LEU . . . -69.96 -37.01 75.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.324 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp -67.08 -40.99 87.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.446 ' O ' ' NE2' ' A' ' 101' ' ' GLN . 51.8 t80 -64.65 -49.14 72.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.147 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 64.0 m95 -65.81 -34.2 77.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.103 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -56.03 -42.38 76.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.057 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 38.3 mt -59.24 -39.0 81.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.825 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.446 ' NE2' ' O ' ' A' ' 97' ' ' PHE . 1.0 OUTLIER -60.14 -44.81 94.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.808 179.845 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 114.88 23.19 4.72 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.334 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.521 ' C ' HG23 ' A' ' 104' ' ' THR . 0.1 OUTLIER -107.79 -21.1 12.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.668 0.27 . . . . 0.0 111.019 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.521 HG23 ' C ' ' A' ' 103' ' ' SER . 0.1 OUTLIER 60.41 126.71 0.01 OUTLIER 'General case' 0 N--CA 1.456 -0.162 0 CA-C-O 121.0 0.429 . . . . 0.0 111.101 179.687 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.662 HD11 HD23 ' A' ' 94' ' ' LEU . 6.2 tt -83.31 132.79 35.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.999 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.403 ' O ' ' HD3' ' A' ' 108' ' ' PRO . 6.4 mttt -123.81 132.26 53.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.746 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 18.8 mt -96.75 100.22 6.94 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.238 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 106' ' ' LYS . 60.0 Cg_endo -71.92 173.08 13.34 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.533 2.156 . . . . 0.0 112.356 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 t -125.0 111.64 28.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.97 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.694 HG12 ' HG2' ' A' ' 111' ' ' GLU . 21.2 t -106.91 131.16 57.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.195 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.694 ' HG2' HG12 ' A' ' 110' ' ' VAL . 68.7 mm-40 60.72 35.42 19.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.809 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.9 33.11 21.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.808 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -156.12 163.59 39.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.942 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 4.5 mt -73.67 127.03 35.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.531 HD11 ' CD2' ' A' ' 158' ' ' LEU . 0.6 OUTLIER -82.92 131.66 35.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.559 ' HB2' HD21 ' A' ' 146' ' ' LEU . 5.6 t70 -64.24 168.85 5.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.502 HD22 HD23 ' A' ' 166' ' ' LEU . 10.7 mt -141.3 -58.88 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.918 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -58.86 -51.29 70.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.766 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.434 ' HB3' ' OD1' ' A' ' 116' ' ' ASP . . . -63.76 -39.21 93.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.348 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.791 ' O ' HG23 ' A' ' 124' ' ' VAL . 50.6 tp -63.49 -41.62 98.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.104 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.9 t -57.92 -40.43 80.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.032 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -67.97 -43.94 77.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.998 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 1.029 HG21 HG13 ' A' ' 142' ' ' VAL . 12.7 mt -58.85 -42.7 86.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.305 -179.7 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.791 HG23 ' O ' ' A' ' 120' ' ' LEU . 19.9 t -58.67 -50.09 80.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.204 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.61 -44.43 85.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.239 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 20.0 p -56.84 -27.52 60.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.183 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.509 ' HB2' HG22 ' A' ' 133' ' ' VAL . 24.3 mmtt -82.73 -26.97 31.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.806 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 157.64 -24.85 0.43 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.694 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.608 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 140.98 -57.94 0.58 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.421 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.435 ' CZ ' ' HD3' ' A' ' 159' ' ' LYS . 51.6 t80 -178.51 -56.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.895 0.379 . . . . 0.0 110.892 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -65.26 -39.94 93.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 9.8 tpt -60.94 -33.45 73.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.63 HG12 ' CD1' ' A' ' 139' ' ' TRP . 13.7 t -67.0 -39.86 84.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.09 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.605 HG23 ' HE3' ' A' ' 159' ' ' LYS . 0.6 OUTLIER -67.12 -46.07 75.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.953 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -61.87 -37.97 86.55 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.0 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -85.94 -21.52 27.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.101 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 8.5 tttp 65.49 37.65 5.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.839 0.352 . . . . 0.0 110.85 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.544 ' O ' HG23 ' A' ' 142' ' ' VAL . 22.5 mtpp -89.88 9.66 26.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.322 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.63 ' CD1' HG12 ' A' ' 133' ' ' VAL . 89.8 m95 -65.69 -35.25 80.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.803 0.335 . . . . 0.0 110.741 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.1 m -63.05 -34.22 77.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.774 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.85 -37.31 70.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.73 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 1.029 HG13 HG21 ' A' ' 123' ' ' ILE . 24.5 t -59.85 -44.04 93.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.126 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -64.29 -41.86 98.05 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 9.6 m -60.13 -35.96 76.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.774 0.321 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 20.7 mtt85 -64.44 -32.38 73.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.559 HD21 ' HB2' ' A' ' 116' ' ' ASP . 0.1 OUTLIER -75.53 -70.65 0.41 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 163.02 42.2 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.564 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -105.85 125.12 50.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.85 0.357 . . . . 0.0 110.826 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.5 mp -69.53 142.39 91.73 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.09 168.41 0.54 Allowed 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.513 2.142 . . . . 0.0 112.223 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 158.7 -162.96 32.86 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.515 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -100.8 127.03 47.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.836 0.35 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 68.57 92.31 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.524 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 6.0 m -140.72 -56.38 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.805 0.336 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -59.0 -34.31 78.35 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.483 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 1.2 m -73.14 -31.29 64.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.756 0.312 . . . . 0.0 110.842 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 157' ' ' LEU . . . . . 0.461 ' N ' HD22 ' A' ' 157' ' ' LEU . 3.8 mm? -69.07 -39.93 78.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.849 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.531 ' CD2' HD11 ' A' ' 115' ' ' LEU . 13.1 mt -67.49 -35.49 79.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 159' ' ' LYS . . . . . 0.605 ' HE3' HG23 ' A' ' 134' ' ' THR . 0.1 OUTLIER -66.19 -42.95 88.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 4.3 m -66.93 -44.26 81.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 -69.47 -44.3 71.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 162' ' ' TYR . . . . . 0.432 ' CE2' HG21 ' A' ' 124' ' ' VAL . 45.8 t80 -58.92 -48.52 81.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -91.11 62.39 4.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.827 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.21 -51.14 0.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.021 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.457 HG22 ' O ' ' A' ' 165' ' ' ILE . 2.1 mp -127.22 -1.21 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.774 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.502 HD23 HD22 ' A' ' 117' ' ' LEU . 0.9 OUTLIER -116.78 -58.91 2.02 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.83 0.348 . . . . 0.0 111.131 -179.848 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 167' ' ' TYR . . . . . 0.464 ' HB3' ' HD3' ' A' ' 168' ' ' PRO . 2.7 t80 -59.82 -48.86 94.05 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.22 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 168' ' ' PRO . . . . . 0.575 ' HA ' HD12 ' A' ' 171' ' ' LEU . 38.7 Cg_exo -60.14 -25.86 81.02 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.353 2.035 . . . . 0.0 112.36 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 169' ' ' TYR . . . . . 0.908 ' CD2' HD12 ' A' ' 94' ' ' LEU . 51.8 t80 -56.56 -53.28 59.45 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 120.785 0.326 . . . . 0.0 110.825 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -56.88 -50.12 73.46 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.03 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 0.575 HD12 ' HA ' ' A' ' 168' ' ' PRO . 2.1 mt -58.15 -33.88 69.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -64.66 -32.95 74.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -67.39 -44.14 79.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 1.9 m 178.56 39.5 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.81 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.376 -1.235 . . . . 0.0 112.528 -179.962 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.401 HG23 ' N ' ' A' ' 87' ' ' ARG . 27.1 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.801 0.334 . . . . 0.0 111.096 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.401 ' N ' HG23 ' A' ' 86' ' ' VAL . 3.3 mtp180 -61.61 -50.04 74.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.8 mp -66.57 -42.68 86.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -57.86 -41.77 83.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -58.19 -50.03 74.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.079 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.5 mp -65.14 -33.11 75.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.969 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -63.71 -39.03 93.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -66.85 -47.97 70.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.938 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.449 HD11 ' O ' ' A' ' 165' ' ' ILE . 26.0 tp -57.28 -44.43 84.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.982 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.403 ' HA ' ' CB ' ' A' ' 105' ' ' LEU . . . -70.0 -37.72 75.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.462 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.586 ' O ' HD12 ' A' ' 100' ' ' LEU . 20.6 mtpp -74.91 -33.16 61.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.233 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -65.01 -49.55 69.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.211 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 68.4 m95 -66.43 -32.72 74.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.97 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -55.59 -43.12 75.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.912 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.586 HD12 ' O ' ' A' ' 96' ' ' LYS . 0.4 OUTLIER -66.38 -31.19 71.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.58 179.572 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 57.0 mm-40 -69.78 -37.87 76.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.82 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 118.42 20.09 4.42 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.483 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.2 t -100.28 -154.53 0.48 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.556 0.217 . . . . 0.0 110.689 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.4 t -154.82 94.5 1.67 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.832 0.349 . . . . 0.0 110.642 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.425 HD13 ' N ' ' A' ' 106' ' ' LYS . 0.3 OUTLIER -62.95 113.6 3.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 -179.89 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.425 ' N ' HD13 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -128.23 119.58 25.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.741 179.828 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 32.5 mt -71.02 111.71 10.85 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.185 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -78.97 162.14 26.48 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.415 2.077 . . . . 0.0 112.372 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 t -112.37 118.0 56.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.971 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.5 HG12 ' HG2' ' A' ' 111' ' ' GLU . 21.4 t -107.68 125.71 64.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.301 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.5 ' HG2' HG12 ' A' ' 110' ' ' VAL . 10.6 mm-40 58.55 39.74 24.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.985 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 43.4 mtm-85 59.28 30.3 20.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.6 mmtm -144.66 157.66 44.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.946 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 31.0 mt -77.93 133.37 30.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.101 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.403 HD12 ' CD2' ' A' ' 158' ' ' LEU . 7.2 tt -94.94 128.56 41.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -77.47 153.77 33.19 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.801 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.748 ' HA ' HD11 ' A' ' 166' ' ' LEU . 5.6 mp -108.64 -58.32 2.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.906 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -55.5 -51.15 67.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -58.48 -45.59 88.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.316 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.827 ' HA ' HD12 ' A' ' 123' ' ' ILE . 35.7 tp -63.81 -38.44 91.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.161 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.9 t -59.31 -40.99 88.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.137 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 9.0 mtmp? -67.97 -40.09 83.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.186 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 1.063 HG21 HG13 ' A' ' 142' ' ' VAL . 27.9 mt -58.68 -42.23 84.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.471 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.79 HG21 ' CZ ' ' A' ' 162' ' ' TYR . 19.1 t -59.72 -50.32 80.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.145 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.3 -44.47 94.91 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 83.7 p -56.83 -24.63 52.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.224 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.687 ' CB ' HG22 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -82.84 -23.58 33.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.864 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 149.28 -20.4 1.21 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.571 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.772 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 148.31 -63.77 0.42 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.331 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.401 ' CZ ' ' HG3' ' A' ' 163' ' ' GLU . 55.3 t80 179.36 -60.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.774 0.321 . . . . 0.0 110.762 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.95 -39.04 80.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.965 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -36.98 80.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.909 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.687 HG22 ' CB ' ' A' ' 127' ' ' LYS . 18.9 t -63.82 -41.93 94.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.136 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 6.8 m -69.91 -43.45 71.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -61.76 -36.68 81.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.959 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -89.87 -11.9 40.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.241 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 8.7 mtpt 63.51 31.87 14.57 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.831 0.348 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -79.29 -5.24 53.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.316 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.448 ' CE2' ' HG3' ' A' ' 159' ' ' LYS . 95.1 m95 -56.31 -31.97 64.18 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.725 0.298 . . . . 0.0 110.896 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 37.2 m -61.6 -39.05 89.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.818 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -71.87 -31.35 66.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.816 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 1.063 HG13 HG21 ' A' ' 123' ' ' ILE . 28.4 t -59.64 -45.86 93.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.1 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -68.66 -37.38 84.67 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.579 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 67.9 m -66.05 -36.03 82.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.825 0.345 . . . . 0.0 110.854 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 68.5 mtt180 -64.17 -31.51 72.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 5.7 mt -67.45 -69.21 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 155.55 55.33 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.507 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -104.67 159.32 15.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.816 0.341 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 75.1 mt -78.07 156.87 79.2 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.38 114.39 3.44 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.53 2.153 . . . . 0.0 112.208 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -136.67 -149.72 5.71 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.512 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 19.1 mtpt -105.77 -62.87 1.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.357 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -112.93 133.01 11.05 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.557 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 1.4 m -151.42 -46.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.337 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -58.48 -38.21 90.37 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.532 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 68.0 m -67.91 -31.51 71.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.793 0.33 . . . . 0.0 110.814 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 7.3 mp -70.87 -45.85 63.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.403 ' CD2' HD12 ' A' ' 115' ' ' LEU . 15.0 mt -63.78 -33.65 76.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 159' ' ' LYS . . . . . 0.448 ' HG3' ' CE2' ' A' ' 139' ' ' TRP . 0.1 OUTLIER -62.94 -40.7 98.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 45.3 m -64.49 -45.95 85.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.96 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -67.2 -45.71 76.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.948 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 162' ' ' TYR . . . . . 0.79 ' CZ ' HG21 ' A' ' 124' ' ' VAL . 56.2 t80 -59.31 -47.22 86.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.818 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.401 ' HG3' ' CZ ' ' A' ' 130' ' ' PHE . 0.5 OUTLIER -89.81 53.94 2.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.69 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -151.66 -43.34 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.093 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.449 ' O ' HD11 ' A' ' 94' ' ' LEU . 3.2 mt -127.72 -35.93 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.687 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.748 HD11 ' HA ' ' A' ' 117' ' ' LEU . 0.3 OUTLIER -79.4 -67.56 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.656 -179.431 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 167' ' ' TYR . . . . . 0.457 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 1.7 t80 -46.03 -47.03 43.14 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.294 -0.412 . . . . 0.0 112.05 -179.24 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 168' ' ' PRO . . . . . 0.457 ' CD ' ' N ' ' A' ' 167' ' ' TYR . 51.3 Cg_exo -54.55 -36.99 90.42 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.396 2.064 . . . . 0.0 112.505 -179.532 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -56.86 -53.08 61.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.973 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -58.48 -50.26 74.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.073 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 51.5 mt -60.5 -34.86 74.68 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -58.39 -38.45 77.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.943 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -84.95 -41.98 15.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.058 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 60.1 m -97.99 30.88 2.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.047 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.293 -1.282 . . . . 0.0 112.5 179.961 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 31.3 m . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.819 0.342 . . . . 0.0 111.272 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.97 -45.41 85.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.965 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.7 mt -59.49 -46.04 89.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.96 -42.89 85.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.063 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -58.5 -44.41 89.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.009 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.554 HD11 ' CD1' ' A' ' 117' ' ' LEU . 3.9 mm? -59.93 -33.12 71.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.03 -41.74 86.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.911 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -67.17 -43.5 82.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.045 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.658 HD21 ' O ' ' A' ' 165' ' ' ILE . 12.8 tp -61.16 -47.14 87.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.116 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.06 -36.67 75.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.377 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -75.03 -44.97 44.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.234 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -61.39 -49.09 78.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.054 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 40.1 m95 -66.0 -32.79 74.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.027 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.63 -40.65 72.46 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.018 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 37.6 mt -62.81 -29.58 70.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.704 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -72.9 -39.38 66.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.941 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 108.08 23.27 6.8 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.592 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.85 -30.02 7.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.698 0.285 . . . . 0.0 110.962 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.7 m 64.3 130.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.845 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.626 HD12 ' HG ' ' A' ' 94' ' ' LEU . 7.3 tt -64.03 134.31 54.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -128.08 109.97 12.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.721 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 2.1 mp -68.43 111.42 8.0 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.166 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.43 145.83 30.46 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.424 2.083 . . . . 0.0 112.382 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 t -112.06 115.25 49.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.004 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.3 t -115.41 133.95 60.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.217 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 59.14 35.4 23.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.009 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? 59.33 30.63 20.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.003 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.71 147.04 29.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 33.3 mm -69.87 130.25 34.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.99 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.733 HD11 HD22 ' A' ' 158' ' ' LEU . 2.4 tt -95.57 127.91 42.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.543 ' N ' HD23 ' A' ' 115' ' ' LEU . 2.7 t70 -59.32 174.25 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.861 ' HA ' HD11 ' A' ' 166' ' ' LEU . 10.1 mt -128.66 -64.33 0.93 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.989 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -55.55 -51.03 68.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.807 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -57.7 -40.49 79.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.195 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.593 ' O ' HG23 ' A' ' 124' ' ' VAL . 0.2 OUTLIER -69.12 -44.48 72.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.982 -179.926 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.9 t -57.93 -35.08 70.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.062 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.4 mtmp? -68.07 -44.96 75.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.951 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.547 HG21 HG13 ' A' ' 142' ' ' VAL . 41.6 mt -58.95 -41.06 82.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.204 -179.597 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.839 HG21 ' CZ ' ' A' ' 162' ' ' TYR . 17.9 t -59.24 -50.23 80.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.154 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.91 -47.02 87.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.204 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 24.9 p -56.95 -22.25 36.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.449 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.595 ' HB2' HG22 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -87.45 -34.99 18.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.832 0.349 . . . . 0.0 110.987 -179.887 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 150.34 43.01 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.554 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.715 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 81.49 -65.62 3.98 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.593 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.497 ' CE2' ' CZ2' ' A' ' 139' ' ' TRP . 54.4 t80 -179.06 -54.02 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.908 0.385 . . . . 0.0 110.884 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -56.8 -37.08 70.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.025 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 8.9 tpp -63.04 -33.95 76.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.595 HG22 ' HB2' ' A' ' 127' ' ' LYS . 27.2 t -66.97 -50.03 68.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.101 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.5 m -66.51 -34.32 77.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.978 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.76 -31.72 71.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.162 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -112.26 8.53 19.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.487 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 14.9 mttm 55.17 32.4 18.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.875 0.369 . . . . 0.0 110.975 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.474 ' O ' HG23 ' A' ' 142' ' ' VAL . 11.8 mttm -68.49 -13.19 62.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.396 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.497 ' CZ2' ' CE2' ' A' ' 130' ' ' PHE . 93.5 m95 -53.81 -36.88 62.97 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.868 0.366 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 67.7 m -61.61 -38.16 86.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 8.6 mtpp -72.03 -31.97 66.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.83 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.547 HG13 HG21 ' A' ' 123' ' ' ILE . 33.4 t -62.73 -49.05 85.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -67.67 -38.26 89.83 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.555 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 14.3 m -60.19 -40.18 89.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.787 0.327 . . . . 0.0 110.934 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.46 -31.25 71.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.5 mt -69.91 -65.26 0.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.793 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 163.89 43.54 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.461 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -108.95 138.07 45.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.738 0.304 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.4 mp -85.23 148.14 49.3 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.4 120.6 7.64 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.614 2.209 . . . . 0.0 112.174 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -178.36 127.72 1.2 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.578 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 9.9 mttp -68.61 131.64 45.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.864 0.364 . . . . 0.0 110.816 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 107.5 30.24 4.16 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.487 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 9.8 m -130.03 -45.48 1.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.771 0.319 . . . . 0.0 110.968 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -57.88 -38.91 90.63 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.589 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 66.1 m -63.11 -31.65 72.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.84 0.353 . . . . 0.0 110.919 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 10.5 mp -71.1 -35.1 71.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.733 HD22 HD11 ' A' ' 115' ' ' LEU . 22.2 mt -69.95 -39.47 76.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.928 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 159' ' ' LYS . . . . . 0.422 ' HE2' ' CZ ' ' A' ' 130' ' ' PHE . 1.3 mtpm? -67.45 -43.9 79.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.791 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 14.1 m -64.57 -46.13 84.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 57.2 m-70 -67.69 -44.27 78.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.95 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 162' ' ' TYR . . . . . 0.839 ' CZ ' HG21 ' A' ' 124' ' ' VAL . 65.8 t80 -59.67 -48.98 79.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -87.66 68.38 9.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.884 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 18.3 mtt-85 -163.22 -44.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.658 ' O ' HD21 ' A' ' 94' ' ' LEU . 2.4 mp -131.46 7.22 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.637 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.861 HD11 ' HA ' ' A' ' 117' ' ' LEU . 3.6 mt -120.47 -70.35 0.79 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.799 0.333 . . . . 0.0 111.117 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 167' ' ' TYR . . . . . 0.478 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 3.1 t80 -53.93 -46.67 98.48 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.513 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 168' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 167' ' ' TYR . 52.4 Cg_exo -54.74 -33.42 80.38 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.304 2.003 . . . . 0.0 112.407 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -56.85 -53.21 60.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.02 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.25 -50.25 74.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.94 0.4 . . . . 0.0 110.949 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 48.4 mt -59.96 -38.49 82.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -57.58 -34.07 68.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.066 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -84.1 -43.93 14.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 13.0 m -98.08 30.98 2.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.948 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.469 -1.184 . . . . 0.0 112.421 -179.964 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 13.4 m . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.785 0.326 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -62.45 -49.94 73.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.972 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.4 -46.12 87.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.005 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -57.8 -37.67 74.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -58.6 -45.45 89.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.817 ' HG ' HD11 ' A' ' 117' ' ' LEU . 4.8 mp -60.01 -33.03 71.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.995 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.12 -45.04 82.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.014 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -61.41 -47.86 83.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.93 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 1.023 HD22 HD13 ' A' ' 105' ' ' LEU . 0.7 OUTLIER -61.49 -44.46 97.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.989 -179.811 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.538 ' HB2' HD23 ' A' ' 105' ' ' LEU . . . -70.13 -45.36 67.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.389 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -69.78 -42.84 73.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.16 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -62.16 -48.96 77.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.157 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.45 ' HD1' HD23 ' A' ' 94' ' ' LEU . 28.7 m95 -64.39 -38.33 90.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.959 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -56.02 -40.16 73.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.047 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 96.4 mt -58.99 -30.8 68.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.747 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -75.85 -45.91 33.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.713 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.63 -15.76 1.24 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.74 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.2 t -93.65 -160.17 0.74 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.729 0.299 . . . . 0.0 110.723 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -159.92 136.93 9.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.875 0.369 . . . . 0.0 110.893 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 1.023 HD13 HD22 ' A' ' 94' ' ' LEU . 18.0 tp -62.99 114.15 3.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.623 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.0 tptt -113.55 132.32 55.76 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.053 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.644 HG23 ' O ' ' A' ' 107' ' ' ILE . 12.9 tt -116.76 80.43 10.81 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.004 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.27 165.81 8.44 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.696 2.264 . . . . 0.0 112.275 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.8 t -110.68 113.81 45.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.897 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 22.0 t -107.21 129.71 60.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.336 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 59.73 37.7 22.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.065 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.07 30.5 19.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.879 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.0 tttm -142.6 145.4 33.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.463 HG22 HD11 ' A' ' 107' ' ' ILE . 4.5 mt -79.23 139.75 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.146 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.432 ' CD1' HD23 ' A' ' 158' ' ' LEU . 1.0 OUTLIER -96.99 129.4 44.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.018 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -83.91 175.09 9.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.817 HD11 ' HG ' ' A' ' 91' ' ' LEU . 0.1 OUTLIER -124.69 -60.22 1.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.084 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -55.61 -51.06 68.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.968 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.03 -44.52 96.54 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.378 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 57.9 tp -61.6 -46.21 90.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.058 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 17.1 t -57.91 -35.0 70.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 14.4 mttp -66.56 -43.61 84.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.087 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.93 HG21 HG13 ' A' ' 142' ' ' VAL . 67.9 mt -58.85 -47.33 89.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.202 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.584 HG12 ' O ' ' A' ' 129' ' ' GLY . 21.7 t -58.91 -50.15 80.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.21 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.51 -47.1 82.88 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.317 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.68 -26.13 55.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.168 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.676 ' HB2' HG22 ' A' ' 133' ' ' VAL . 0.7 OUTLIER -83.36 -27.03 29.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.902 179.878 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 158.1 -25.24 0.41 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.554 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.584 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 137.81 -55.44 0.68 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.434 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -178.49 -61.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.851 0.357 . . . . 0.0 110.904 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -61.51 -39.64 91.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.967 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.97 -35.98 78.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.784 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.676 HG22 ' HB2' ' A' ' 127' ' ' LYS . 20.1 t -67.02 -43.38 89.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.195 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 7.5 m -63.86 -46.06 86.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 3.5 mtmm -61.78 -37.84 85.81 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -86.36 -15.17 41.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.286 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 2.6 mttm 65.13 37.25 6.75 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.883 0.373 . . . . 0.0 110.852 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.692 ' O ' HG23 ' A' ' 142' ' ' VAL . 7.1 mttt -90.78 11.05 23.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.264 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 62.7 m95 -67.09 -37.22 83.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.829 0.347 . . . . 0.0 110.836 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.24 -35.94 81.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -67.59 -35.84 79.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.74 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.93 HG13 HG21 ' A' ' 123' ' ' ILE . 25.3 t -58.92 -47.95 88.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.085 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -68.87 -33.77 75.85 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.533 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 32.2 m -59.45 -36.11 75.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.93 0.395 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -67.63 -31.96 72.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 30.1 mt -72.2 -66.06 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 153.26 56.43 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.422 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 148' ' ' TYR . . . . . 0.47 ' CE2' HD21 ' A' ' 158' ' ' LEU . 57.3 m-85 -111.18 145.15 39.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.81 0.338 . . . . 0.0 110.915 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 12.6 mt -88.92 154.03 49.73 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.948 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.34 150.75 84.41 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.601 2.201 . . . . 0.0 112.268 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 169.26 -165.16 38.66 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.576 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 18.5 mttm -88.81 88.11 7.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.754 0.311 . . . . 0.0 110.946 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 153' ' ' GLY . . . . . 0.404 ' O ' ' HB ' ' A' ' 154' ' ' THR . . . 133.24 -117.23 1.88 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.501 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 154' ' ' THR . . . . . 0.404 ' HB ' ' O ' ' A' ' 153' ' ' GLY . 68.9 m 65.9 -72.91 0.07 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.702 0.287 . . . . 0.0 111.049 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -62.22 -39.29 97.5 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.444 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 10.4 m -68.71 -37.68 79.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.822 0.344 . . . . 0.0 110.83 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 22.6 mt -66.91 -42.69 84.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.47 HD21 ' CE2' ' A' ' 148' ' ' TYR . 6.9 mt -61.31 -38.86 88.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.8 -42.72 99.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.793 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 31.1 m -67.11 -44.37 80.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -63.92 -41.6 97.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.736 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 162' ' ' TYR . . . . . 0.492 ' CE2' ' CD1' ' A' ' 167' ' ' TYR . 37.5 t80 -60.03 -49.06 79.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.794 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -94.25 71.72 3.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.639 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.25 -42.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.406 HG22 HD21 ' A' ' 94' ' ' LEU . 1.7 mp -131.44 -42.62 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.782 0.325 . . . . 0.0 111.727 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.476 HD22 ' HA ' ' A' ' 117' ' ' LEU . 37.0 tp -77.41 -73.35 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.764 -179.27 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 167' ' ' TYR . . . . . 0.568 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 1.4 t80 -43.89 -54.39 11.05 Favored Pre-proline 0 CA--C 1.534 0.34 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -179.264 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 168' ' ' PRO . . . . . 0.755 ' HA ' HD12 ' A' ' 171' ' ' LEU . 10.5 Cg_endo -54.68 -25.67 43.09 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.329 2.02 . . . . 0.0 112.709 -179.578 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -56.79 -53.16 61.08 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.825 0.345 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -57.61 -49.99 74.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 0.755 HD12 ' HA ' ' A' ' 168' ' ' PRO . 4.2 mt -54.95 -37.31 66.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.204 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -58.8 -39.75 82.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -84.7 -42.0 15.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.949 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 21.8 m -98.22 31.1 2.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.009 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.354 -1.248 . . . . 0.0 112.432 179.99 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 9.6 m . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.841 0.353 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 50.0 ttt-85 -66.97 -45.04 78.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.9 mp -64.51 -40.12 95.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.828 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -57.73 -43.17 85.11 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.07 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -58.73 -47.89 83.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.33 -33.02 71.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.11 -46.94 84.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.058 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -63.31 -44.96 93.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.436 HD13 ' CG ' ' A' ' 169' ' ' TYR . 50.2 tp -62.68 -48.12 80.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.959 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.11 -43.09 71.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.28 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.425 ' O ' HD12 ' A' ' 100' ' ' LEU . 3.0 mttp -64.86 -44.88 88.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.208 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -58.7 -49.17 78.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.164 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 39.2 m95 -65.94 -34.29 77.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.957 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.83 -44.2 77.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.083 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.425 HD12 ' O ' ' A' ' 96' ' ' LYS . 3.4 mp -59.36 -31.99 69.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.95 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -69.41 -41.15 76.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 109.85 24.18 5.89 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.524 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.2 m -99.17 -29.48 12.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.774 0.321 . . . . 0.0 110.968 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 10.3 m 66.16 100.41 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.848 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.22 126.87 30.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.068 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 34.0 mtpt -127.88 109.99 12.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.707 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 36.5 mm -62.35 110.72 3.61 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.074 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -80.02 179.4 6.25 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.449 2.099 . . . . 0.0 112.365 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 29.9 t -125.04 149.04 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.889 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.649 HG21 HD12 ' A' ' 115' ' ' LEU . 13.3 t -128.22 112.06 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.839 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.446 ' HG2' HG12 ' A' ' 110' ' ' VAL . 1.3 mm-40 74.03 -49.41 0.68 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.156 -179.723 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 179.89 -26.59 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.484 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.24 171.85 7.24 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.873 0.368 . . . . 0.0 111.004 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 3.2 mp -91.08 133.82 31.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.035 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.649 HD12 HG21 ' A' ' 110' ' ' VAL . 2.5 tt -74.77 128.84 36.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.498 ' N ' HD23 ' A' ' 115' ' ' LEU . 2.8 t70 -58.8 174.45 0.34 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.804 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.839 ' HB3' HD21 ' A' ' 166' ' ' LEU . 2.2 mp -133.53 -68.67 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.06 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -59.09 -51.21 71.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.965 0.412 . . . . 0.0 110.674 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.96 -30.69 71.69 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.307 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.472 ' O ' HG23 ' A' ' 124' ' ' VAL . 0.3 OUTLIER -69.11 -49.01 60.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.134 -179.723 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 44.9 t -60.52 -34.86 74.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.122 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 3.3 mmtm -64.26 -46.59 83.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.938 HG21 HG13 ' A' ' 142' ' ' VAL . 26.8 mt -58.84 -48.89 84.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.46 -179.598 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.649 HG12 ' O ' ' A' ' 129' ' ' GLY . 17.0 t -59.05 -50.18 80.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.813 0.34 . . . . 0.0 111.213 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.56 -43.68 93.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.306 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 58.1 p -56.79 -26.82 58.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.415 ' HB2' HG22 ' A' ' 133' ' ' VAL . 2.9 mmpt? -83.78 -25.11 30.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.919 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 154.57 -24.32 0.65 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.567 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.649 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 140.98 -56.62 0.6 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.459 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.437 ' CZ ' ' HD3' ' A' ' 159' ' ' LYS . 37.0 t80 -179.78 -56.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.795 0.331 . . . . 0.0 110.837 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -60.47 -39.74 88.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.3 tpp -60.89 -35.3 76.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.576 HG12 ' CD1' ' A' ' 139' ' ' TRP . 26.1 t -66.79 -42.53 89.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.006 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 6.8 m -65.27 -37.98 88.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 4.8 mmtp -61.73 -38.15 86.85 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.96 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -92.47 -18.25 23.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.078 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.17 38.37 3.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.82 0.343 . . . . 0.0 110.868 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.631 ' O ' HG23 ' A' ' 142' ' ' VAL . 12.6 mmtp -92.72 12.6 22.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.202 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.576 ' CD1' HG12 ' A' ' 133' ' ' VAL . 68.4 m95 -67.15 -35.09 78.95 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.802 0.334 . . . . 0.0 110.738 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 9.2 m -65.85 -34.56 78.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 13.0 mtpt -71.1 -33.71 70.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.823 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.938 HG13 HG21 ' A' ' 123' ' ' ILE . 24.8 t -61.68 -49.08 85.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.0 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.407 ' HA3' HD11 ' A' ' 158' ' ' LEU . . . -67.78 -42.9 85.87 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.439 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 14.9 m -60.17 -36.04 76.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.783 0.325 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.46 -34.1 76.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 6.2 mp -68.51 -49.14 61.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 149.43 50.14 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.361 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 148' ' ' TYR . . . . . 0.459 ' CE2' HD21 ' A' ' 158' ' ' LEU . 4.9 m-85 -105.6 136.65 44.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.84 154.49 85.7 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -72.29 103.92 1.6 Allowed 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.56 2.174 . . . . 0.0 112.371 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -138.65 -168.24 11.21 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.497 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -85.92 -74.54 0.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.753 0.311 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -82.53 123.2 5.99 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.485 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 1.1 m -161.44 -44.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.836 0.35 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -59.18 -36.08 87.14 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.477 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 6.3 m -67.75 -35.99 79.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.786 0.327 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 4.3 mt -64.93 -41.0 95.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.459 HD21 ' CE2' ' A' ' 148' ' ' TYR . 5.0 mt -71.78 -44.46 63.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.923 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 159' ' ' LYS . . . . . 0.437 ' HD3' ' CZ ' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -61.62 -42.02 98.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.882 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 50.7 m -66.85 -46.06 76.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 36.5 m-70 -65.86 -48.07 72.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 162' ' ' TYR . . . . . 0.529 ' CE2' HG21 ' A' ' 124' ' ' VAL . 32.1 t80 -60.04 -49.05 79.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -92.53 62.99 4.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.799 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.58 -44.07 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.025 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 2.4 mp -130.02 -42.66 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.343 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.839 HD21 ' HB3' ' A' ' 117' ' ' LEU . 0.5 OUTLIER -73.34 -67.08 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.341 -179.635 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 167' ' ' TYR . . . . . 0.586 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 3.0 t80 -45.92 -52.91 23.5 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.299 -0.409 . . . . 0.0 112.071 -179.571 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 168' ' ' PRO . . . . . 0.726 ' HA ' HD12 ' A' ' 171' ' ' LEU . 10.4 Cg_endo -54.61 -25.8 43.09 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.318 2.012 . . . . 0.0 112.63 -179.506 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 169' ' ' TYR . . . . . 0.436 ' CG ' HD13 ' A' ' 94' ' ' LEU . 35.6 t80 -56.87 -53.12 61.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.875 0.369 . . . . 0.0 110.801 179.744 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.18 -50.03 75.57 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.791 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 0.726 HD12 ' HA ' ' A' ' 168' ' ' PRO . 3.0 mt -56.41 -36.16 68.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -59.14 -38.08 78.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.805 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -81.35 -43.99 18.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.958 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 7.9 m -98.05 30.57 3.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.975 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.374 -1.237 . . . . 0.0 112.591 -179.997 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.519 ' O ' HD12 ' A' ' 82' ' ' LEU . . . . . . . . 0 N--CA 1.49 2.235 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.44 102.11 1.23 Allowed 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.63 2.22 . . . . 0.0 112.287 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.519 HD12 ' O ' ' A' ' 80' ' ' GLY . 4.3 mp -81.26 85.01 6.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -82.16 -101.51 0.43 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.543 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 50.9 m -129.54 31.34 4.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.884 0.373 . . . . 0.0 110.929 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.8 mtp85 -72.34 -51.07 22.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 18.2 m -62.98 -36.18 74.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 73.5 mtt180 -59.71 -46.81 87.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 15.5 mt -65.93 -45.57 81.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.9 -42.97 85.8 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.009 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.475 ' HE1' HD11 ' A' ' 166' ' ' LEU . 33.2 t80 -62.43 -48.8 78.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.919 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.787 HD21 HD22 ' A' ' 117' ' ' LEU . 16.9 mt -60.03 -32.95 71.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -61.08 -39.6 90.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.985 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -69.98 -45.62 66.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.968 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.553 HD23 HD11 ' A' ' 105' ' ' LEU . 28.7 tp -66.1 -43.06 88.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.71 ' HB2' HD22 ' A' ' 105' ' ' LEU . . . -68.74 -37.84 79.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.224 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.05 -44.32 48.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.121 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -60.31 -49.32 78.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.039 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 36.9 m95 -66.28 -35.0 79.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.977 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -55.83 -37.72 69.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.101 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 69.7 mt -59.25 -31.63 69.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.812 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -75.59 -44.73 41.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.817 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 113.75 22.9 5.21 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.526 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.79 -26.08 15.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.784 0.326 . . . . 0.0 111.064 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 31.6 m 64.41 109.78 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.71 HD22 ' HB2' ' A' ' 95' ' ' ALA . 0.8 OUTLIER -64.3 132.61 50.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.032 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -128.03 132.13 49.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.3 pt -98.81 98.71 6.53 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.188 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -68.63 144.79 61.57 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.531 2.154 . . . . 0.0 112.274 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.439 HG13 ' O ' ' A' ' 113' ' ' LYS . 21.5 t -99.62 133.33 42.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.154 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.615 ' CG2' HD23 ' A' ' 115' ' ' LEU . 21.9 t -129.11 128.81 67.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.192 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 60.11 38.67 20.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 60.11 30.18 19.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.805 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.439 ' O ' HG13 ' A' ' 109' ' ' VAL . 13.5 mtmm -144.27 167.69 21.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 4.2 mt -81.76 141.38 15.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.615 HD23 ' CG2' ' A' ' 110' ' ' VAL . 0.3 OUTLIER -83.7 117.81 23.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.961 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.422 ' N ' HD13 ' A' ' 115' ' ' LEU . 8.1 t0 -59.12 162.85 4.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.795 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.787 HD22 HD21 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -139.68 -58.42 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.985 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -57.59 -51.28 70.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.866 0.365 . . . . 0.0 110.717 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.404 ' HB3' ' OD2' ' A' ' 116' ' ' ASP . . . -66.25 -42.54 88.41 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.174 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.883 ' O ' HG23 ' A' ' 124' ' ' VAL . 18.9 tp -60.26 -38.05 82.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.082 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 13.4 t -66.73 -39.89 88.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.035 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -67.97 -43.94 77.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.073 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.705 HD12 ' HA ' ' A' ' 120' ' ' LEU . 8.4 mt -58.8 -40.65 80.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.264 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.883 HG23 ' O ' ' A' ' 120' ' ' LEU . 22.0 t -62.27 -50.23 80.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.167 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.38 -47.09 86.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 50.7 p -57.06 -21.53 32.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.345 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.709 ' CB ' HG22 ' A' ' 133' ' ' VAL . 0.1 OUTLIER -86.17 -27.91 24.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.879 0.371 . . . . 0.0 110.943 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 138.53 41.18 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.451 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.746 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 86.15 -67.45 3.51 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.509 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -177.82 -53.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.879 0.371 . . . . 0.0 111.004 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -56.97 -39.33 74.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.073 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.95 -32.13 71.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.709 HG22 ' CB ' ' A' ' 127' ' ' LYS . 14.0 t -67.12 -45.55 86.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.077 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 3.3 m -70.01 -39.53 75.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 24.0 mtmm -61.72 -37.84 85.67 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.015 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -95.16 -14.9 23.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.153 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? 67.2 38.91 3.22 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.847 0.356 . . . . 0.0 110.846 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -92.57 13.89 18.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.278 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.504 ' CD1' HG12 ' A' ' 133' ' ' VAL . 63.7 m95 -67.14 -32.44 73.56 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.831 0.348 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.5 m -60.31 -40.47 90.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.09 -31.54 72.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.575 HG13 HG21 ' A' ' 123' ' ' ILE . 22.0 t -63.15 -49.11 84.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.063 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -68.98 -39.88 84.64 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.561 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 2.7 m -60.27 -39.46 86.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 111.027 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -61.97 -31.94 72.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.571 HD12 ' HE2' ' A' ' 148' ' ' TYR . 89.5 mt -67.84 -52.89 31.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 140.51 44.34 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.49 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' TYR . . . . . 0.571 ' HE2' HD12 ' A' ' 146' ' ' LEU . 24.5 m-85 -106.42 134.84 48.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.869 0.366 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.4 mt -75.95 144.87 76.66 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.35 89.21 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.474 2.116 . . . . 0.0 112.28 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -103.88 -151.84 22.37 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.542 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 14.6 mttm -61.55 -72.06 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.799 0.333 . . . . 0.0 110.856 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -164.06 72.85 0.18 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.641 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 20.5 m -65.84 -23.69 66.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.728 0.299 . . . . 0.0 111.093 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -56.95 -37.01 76.24 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.605 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 2.1 m -66.55 -36.19 82.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 110.835 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 6.4 mp -72.95 -38.39 66.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.791 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.475 HD23 HD21 ' A' ' 115' ' ' LEU . 66.4 mt -63.37 -44.61 94.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 159' ' ' LYS . . . . . 0.432 ' HG3' ' CD2' ' A' ' 139' ' ' TRP . 0.0 OUTLIER -60.95 -47.99 83.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.827 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 8.9 m -67.03 -42.1 85.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -63.95 -47.82 78.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' TYR . . . . . 0.786 ' CE2' HG21 ' A' ' 124' ' ' VAL . 24.5 t80 -66.99 -46.92 73.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -88.36 69.68 9.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -171.46 -36.84 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.349 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 2.0 mp -126.48 -48.28 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.642 0.258 . . . . 0.0 111.608 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.475 HD11 ' HE1' ' A' ' 90' ' ' PHE . 11.2 tp -78.24 -51.87 9.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.551 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 167' ' ' TYR . . . . . 0.538 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 2.6 t80 -54.84 -55.85 33.98 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.667 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 168' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 10.8 Cg_endo -54.79 -25.84 44.77 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.422 2.081 . . . . 0.0 112.667 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -56.89 -53.12 61.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.856 0.36 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.74 -50.12 74.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.965 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 53.9 mt -56.26 -36.93 69.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.053 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -58.14 -40.67 81.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.953 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -85.15 -40.87 16.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 9.2 m -97.84 30.86 2.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.031 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.432 -1.204 . . . . 0.0 112.487 -179.928 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.294 0 N-CA-C 112.446 -0.261 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.37 107.46 2.15 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.527 2.151 . . . . 0.0 112.226 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.5 mt -84.65 114.72 22.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.97 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 142.99 -34.18 1.79 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.571 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.43 87.36 2.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.786 0.327 . . . . 0.0 110.975 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.449 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 5.1 mpt_? -72.32 -39.55 68.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 11.7 m -69.36 -35.06 65.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.311 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -66.97 -50.18 63.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.769 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.713 HD12 ' N ' ' A' ' 89' ' ' ASP . 3.5 pp -61.01 -46.13 92.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.878 0.37 . . . . 0.0 111.024 -179.562 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.713 ' N ' HD12 ' A' ' 88' ' ' LEU . 22.0 m-20 -57.69 -43.09 84.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.045 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -68.07 -41.88 81.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.727 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.589 HD11 HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -59.72 -33.98 72.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.924 -179.841 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.1 -41.08 86.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -60.95 -48.13 83.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.213 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.912 HD22 HD12 ' A' ' 105' ' ' LEU . 0.7 OUTLIER -66.08 -41.05 91.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.085 -179.618 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.08 -44.07 69.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.468 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.31 -34.02 65.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.298 -179.562 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -66.27 -49.0 68.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.276 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.468 ' HD1' HD23 ' A' ' 94' ' ' LEU . 25.9 m95 -66.05 -38.78 89.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.183 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -55.96 -42.52 76.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.108 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.5 mt -58.95 -31.75 68.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.648 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.449 ' NE2' ' HA ' ' A' ' 98' ' ' TRP . 0.0 OUTLIER -73.86 -48.36 31.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.537 179.675 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.94 -13.05 1.12 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.751 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 43.6 p -94.75 -162.36 0.94 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.773 0.32 . . . . 0.0 110.849 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.3 t -153.45 144.71 23.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.783 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.912 HD12 HD22 ' A' ' 94' ' ' LEU . 3.4 tt -78.42 126.86 31.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.855 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -128.01 132.31 49.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.554 HD11 HD21 ' A' ' 105' ' ' LEU . 1.7 mp -113.89 82.35 6.67 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.243 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.4 179.49 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.623 2.215 . . . . 0.0 112.294 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 29.3 t -125.04 113.11 34.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.016 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.4 t -111.35 138.05 41.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.206 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 61.65 35.93 16.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.017 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 58.56 30.35 19.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -151.48 165.34 34.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.816 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 28.6 mt -78.16 141.3 15.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.101 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.785 HD23 ' O ' ' A' ' 116' ' ' ASP . 3.2 tt -87.43 131.95 34.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.01 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.785 ' O ' HD23 ' A' ' 115' ' ' LEU . 3.8 t0 -69.46 165.57 20.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.535 HD11 HD23 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -138.42 -67.35 0.47 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.029 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -56.74 -51.28 69.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.29 -33.21 74.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.206 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.837 ' HA ' HD12 ' A' ' 123' ' ' ILE . 45.1 tp -68.71 -43.03 76.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.973 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 20.6 t -58.01 -36.99 73.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.033 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.1 mmtm -68.21 -42.79 79.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.083 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.837 HD12 ' HA ' ' A' ' 120' ' ' LEU . 13.7 mt -58.85 -44.12 89.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.359 -179.7 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.69 HG12 ' O ' ' A' ' 129' ' ' GLY . 18.6 t -59.67 -50.18 80.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.859 0.361 . . . . 0.0 111.131 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.86 -42.82 98.61 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.31 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 42.0 p -56.77 -25.4 55.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.206 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.551 ' CB ' HG22 ' A' ' 133' ' ' VAL . 9.5 mttt -84.08 -25.08 30.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 151.46 -21.37 0.94 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.669 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.69 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 145.89 -57.91 0.51 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.515 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.402 ' CE2' ' OE1' ' A' ' 163' ' ' GLU . 56.3 t80 -178.09 -58.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.836 0.35 . . . . 0.0 110.724 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -59.64 -34.25 72.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.956 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -39.24 88.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.551 HG22 ' CB ' ' A' ' 127' ' ' LYS . 24.1 t -66.81 -44.81 88.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 3.8 m -70.0 -44.39 69.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.962 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 15.3 mmtt -61.69 -37.89 85.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.993 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -92.13 -13.37 30.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.315 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.19 34.73 4.82 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.817 0.341 . . . . 0.0 110.792 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.87 0.17 45.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.368 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.457 ' CD1' HG12 ' A' ' 133' ' ' VAL . 81.3 m95 -58.89 -32.41 69.48 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.839 0.352 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.9 m -61.81 -41.38 97.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -63.35 -32.16 73.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.927 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.531 HG13 HG21 ' A' ' 123' ' ' ILE . 29.3 t -62.42 -48.38 88.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -68.05 -33.4 78.85 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.459 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 14.8 m -65.35 -37.32 86.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.787 0.327 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -31.56 71.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 2.2 tt -78.56 -66.19 0.89 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 160.22 42.64 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.474 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' TYR . . . . . 0.501 ' CE2' HD21 ' A' ' 158' ' ' LEU . 22.5 m-85 -97.24 118.38 33.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.826 0.346 . . . . 0.0 110.815 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 91.1 mt -61.2 150.28 79.83 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -69.28 92.17 0.47 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.624 2.216 . . . . 0.0 112.167 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -100.41 -147.68 21.36 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.409 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -99.31 -30.16 12.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.847 0.356 . . . . 0.0 111.042 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' GLY . . . . . 0.441 ' O ' ' HB ' ' A' ' 154' ' ' THR . . . -143.36 -115.93 1.1 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.674 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 154' ' ' THR . . . . . 0.441 ' HB ' ' O ' ' A' ' 153' ' ' GLY . 9.8 m 78.5 -7.88 1.73 Allowed 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -75.33 -41.97 29.37 Favored Glycine 0 C--N 1.334 0.423 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.585 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 24.3 m -61.32 -39.45 90.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.819 0.342 . . . . 0.0 110.965 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 4.1 mp -63.95 -45.95 86.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.501 HD21 ' CE2' ' A' ' 148' ' ' TYR . 10.2 mt -65.58 -42.01 92.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.755 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? -72.11 -38.55 69.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.855 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 62.3 m -66.96 -44.4 80.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 15.5 m80 -64.01 -41.85 97.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.786 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 162' ' ' TYR . . . . . 0.42 ' CZ ' HG21 ' A' ' 124' ' ' VAL . 71.6 t80 -61.91 -49.12 77.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.804 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.409 ' HA ' ' CB ' ' A' ' 167' ' ' TYR . 50.7 tt0 -91.43 70.32 5.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.843 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -166.2 -41.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.16 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.625 HG22 HD21 ' A' ' 94' ' ' LEU . 2.4 mt -127.24 -39.42 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.667 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.513 HD23 ' CD1' ' A' ' 94' ' ' LEU . 62.6 mt -84.24 -53.15 5.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.587 -179.272 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 167' ' ' TYR . . . . . 0.514 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 1.4 t80 -58.64 -55.94 40.86 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.599 -179.429 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 168' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 17.3 Cg_endo -58.66 -27.11 82.0 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.205 1.937 . . . . 0.0 112.643 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 169' ' ' TYR . . . . . 0.591 ' CD2' HD12 ' A' ' 94' ' ' LEU . 20.2 t80 -56.97 -53.22 60.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.778 0.323 . . . . 0.0 110.835 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.95 -50.23 74.59 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.902 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 67.5 mt -57.98 -38.69 76.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.077 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -57.26 -35.54 69.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.993 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -77.98 -44.03 27.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 1.9 m -99.37 30.32 3.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.333 -1.259 . . . . 0.0 112.423 -179.929 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.136 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.85 -168.03 0.3 Allowed 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.659 2.24 . . . . 0.0 112.225 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.7 mp 59.78 102.84 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -169.1 -41.08 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -141.98 38.0 1.6 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.845 0.355 . . . . 0.0 110.904 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -73.76 -50.89 18.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 29.0 m -63.37 -39.45 85.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.185 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.5 ttt180 -60.19 -48.01 83.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.491 ' HA ' HD12 ' A' ' 91' ' ' LEU . 4.7 tt -66.25 -40.61 90.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -57.74 -42.62 84.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.118 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -62.44 -42.68 99.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.045 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' A' ' 88' ' ' LEU . 11.4 mt -60.85 -33.06 72.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -65.9 -43.72 87.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.078 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 56.5 mm-40 -65.88 -40.68 91.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.981 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.843 HD21 HG22 ' A' ' 165' ' ' ILE . 2.5 tt -63.01 -46.55 87.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.013 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.606 ' HB2' HD23 ' A' ' 105' ' ' LEU . . . -69.91 -41.39 74.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.34 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -65.03 -44.82 87.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.16 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -60.66 -49.04 79.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.09 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 40.0 m95 -66.09 -32.81 74.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.26 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -55.73 -41.59 74.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 0.0 111.092 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 29.0 mt -62.3 -30.86 71.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.82 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -70.33 -40.21 74.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 114.95 16.5 7.31 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.905 -0.665 . . . . 0.0 112.667 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.484 ' C ' HG23 ' A' ' 104' ' ' THR . 0.4 OUTLIER -114.48 -22.01 10.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.699 0.285 . . . . 0.0 111.17 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.484 HG23 ' C ' ' A' ' 103' ' ' SER . 0.0 OUTLIER 56.09 169.18 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.869 0.366 . . . . 0.0 111.054 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.836 HD13 HG21 ' A' ' 165' ' ' ILE . 62.2 tp -113.5 124.79 53.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.971 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 19.1 tptm -119.56 109.96 16.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.656 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 4.8 mt -62.02 110.14 2.95 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.243 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -75.54 126.25 9.5 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.37 2.047 . . . . 0.0 112.367 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.5 t -94.29 116.78 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.028 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 25.2 t -125.14 137.88 56.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.205 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 60.65 35.97 19.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 6.7 ttm-85 58.14 29.57 18.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 7.2 tttm -146.34 166.93 24.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.819 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 29.6 mm -85.58 140.54 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.796 HD23 ' O ' ' A' ' 116' ' ' ASP . 8.9 tt -92.79 111.21 22.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.796 ' O ' HD23 ' A' ' 115' ' ' LEU . 1.5 t70 -59.05 175.23 0.3 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.446 ' HB3' HD23 ' A' ' 166' ' ' LEU . 30.4 mt -142.85 -55.45 0.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.011 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -58.86 -51.37 70.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.97 -39.3 94.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.236 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.838 ' HA ' HD12 ' A' ' 123' ' ' ILE . 42.9 tp -68.83 -39.15 80.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.0 t -57.86 -39.36 77.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.084 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -68.04 -41.02 82.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.944 HG21 HG13 ' A' ' 142' ' ' VAL . 23.1 mt -58.81 -46.25 91.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.382 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.643 HG12 ' O ' ' A' ' 129' ' ' GLY . 17.5 t -59.33 -50.28 80.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.149 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.34 -46.27 89.09 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.29 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 78.6 p -56.8 -25.67 56.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.173 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.02 -24.65 30.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.998 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 154.08 -23.46 0.69 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.679 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.643 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 139.41 -55.3 0.66 Allowed Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.343 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -178.57 -56.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.99 0.424 . . . . 0.0 110.948 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -59.47 -42.08 91.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.002 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -61.0 -34.61 75.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.794 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.604 HG21 HG13 ' A' ' 124' ' ' VAL . 20.2 t -66.98 -46.3 85.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.156 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 28.1 m -69.97 -35.08 74.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 8.7 mtpt -61.87 -31.13 71.37 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.048 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -104.09 -11.97 17.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.287 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 23.9 tttt 65.93 34.99 6.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.815 0.341 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.563 ' O ' HG23 ' A' ' 142' ' ' VAL . 11.3 mmtm -80.58 -4.71 55.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.3 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.565 ' CD1' HG12 ' A' ' 133' ' ' VAL . 97.3 m95 -55.54 -37.4 67.92 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.754 0.312 . . . . 0.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.62 -41.85 99.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.794 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.71 -35.26 80.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.944 HG13 HG21 ' A' ' 123' ' ' ILE . 25.1 t -59.68 -48.45 87.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -59.2 -36.86 90.54 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 16.7 m -66.48 -38.03 86.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.846 0.355 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 22.4 mtm-85 -69.95 -33.99 72.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.7 HD21 ' HB3' ' A' ' 116' ' ' ASP . 0.2 OUTLIER -63.45 -42.0 98.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 135.56 44.4 0.1 Allowed Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.396 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -105.12 166.17 10.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.914 0.387 . . . . 0.0 110.954 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 3.4 mt -88.04 153.57 51.84 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -68.58 145.01 62.71 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.555 2.17 . . . . 0.0 112.304 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 155.57 -171.03 33.58 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.476 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -124.91 134.17 52.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.825 0.345 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 108.14 28.18 4.78 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.466 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 1.1 m -118.23 -39.89 3.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.858 0.361 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' GLY . . . . . 0.723 ' HA2' HD12 ' A' ' 158' ' ' LEU . . . -58.75 -39.74 94.06 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.536 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 6.4 m -61.16 -38.29 85.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.781 0.325 . . . . 0.0 110.814 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 11.1 mp -69.65 -44.23 70.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.723 HD12 ' HA2' ' A' ' 155' ' ' GLY . 4.0 mt -60.01 -40.12 88.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.937 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 159' ' ' LYS . . . . . 0.439 ' HG3' ' CD2' ' A' ' 139' ' ' TRP . 1.0 OUTLIER -67.15 -43.34 82.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 3.6 m -66.96 -46.1 75.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 48.9 m-70 -65.81 -41.58 91.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 162' ' ' TYR . . . . . 0.548 ' HD1' HD23 ' A' ' 120' ' ' LEU . 86.6 t80 -58.43 -46.88 85.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -93.13 47.85 1.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.824 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -132.83 -43.68 0.89 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.016 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.843 HG22 HD21 ' A' ' 94' ' ' LEU . 1.5 mp -129.21 -50.15 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.891 0.377 . . . . 0.0 111.409 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.504 HD13 ' C ' ' A' ' 166' ' ' LEU . 2.8 tm? -63.21 -61.89 2.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.485 -179.478 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 167' ' ' TYR . . . . . 0.513 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 2.9 t80 -53.06 -56.35 24.6 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.868 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 168' ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 15.1 Cg_endo -57.7 -29.35 85.27 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.238 1.959 . . . . 0.0 112.52 -179.703 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -57.45 -53.05 62.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.767 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -56.3 -49.45 74.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.818 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 9.1 mp -54.91 -33.88 62.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.973 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -68.23 -31.4 70.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -68.55 -44.2 75.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.018 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 1.8 m 176.97 40.81 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.966 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.433 -1.204 . . . . 0.0 112.58 179.896 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.212 0 N-CA-C 112.526 -0.229 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.52 -23.75 19.68 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.481 2.121 . . . . 0.0 112.401 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.7 mt -56.91 93.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -156.0 -93.29 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.407 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.0 p -104.3 36.02 2.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.848 0.356 . . . . 0.0 110.913 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.48 -51.08 64.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 18.3 m -60.32 -36.05 66.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.177 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -58.66 -49.56 77.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.952 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.4 mp -66.94 -46.05 75.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.967 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.74 -43.16 85.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.031 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -67.24 -44.03 80.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.644 HD21 HD11 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -59.98 -36.7 77.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.983 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -67.07 -36.86 82.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -72.01 -39.9 68.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.591 HD23 HD11 ' A' ' 105' ' ' LEU . 19.8 tp -59.56 -48.86 80.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.989 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.433 ' HB2' HD22 ' A' ' 105' ' ' LEU . . . -69.91 -43.09 72.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.226 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -64.96 -41.43 95.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.1 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -66.77 -49.29 66.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.945 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 38.8 m95 -66.24 -35.57 80.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.071 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.79 -40.34 72.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.072 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 16.4 mt -64.71 -30.97 72.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -68.51 -39.38 81.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 109.79 23.84 6.04 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.58 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.3 m -106.11 -26.63 11.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.778 0.323 . . . . 0.0 111.026 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 19.4 m 64.85 107.2 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.591 HD11 HD23 ' A' ' 94' ' ' LEU . 6.6 tt -64.64 133.05 51.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.425 ' O ' ' HD3' ' A' ' 108' ' ' PRO . 33.4 mttp -128.04 132.2 49.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.808 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.5 mt -105.11 100.97 27.61 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.034 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.425 ' HD3' ' O ' ' A' ' 106' ' ' LYS . 2.9 Cg_exo -76.12 168.05 24.78 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.837 2.358 . . . . 0.0 112.269 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.9 t -125.1 117.43 49.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.756 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 15.5 t -107.03 133.15 52.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.356 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 56.65 39.58 29.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.056 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 25.2 mtm-85 56.53 26.67 11.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.965 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -138.28 139.08 38.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.792 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 13.7 mt -72.84 139.13 20.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.121 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.48 HD12 ' OH ' ' A' ' 148' ' ' TYR . 4.6 tt -101.61 110.82 22.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.724 ' H ' HD21 ' A' ' 146' ' ' LEU . 1.8 t70 -59.39 175.47 0.32 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.949 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.964 HD23 HD22 ' A' ' 166' ' ' LEU . 0.3 OUTLIER -126.18 -61.32 1.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.009 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -56.81 -51.15 70.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.947 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -56.75 -38.82 72.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.314 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.705 ' O ' HG23 ' A' ' 124' ' ' VAL . 0.2 OUTLIER -69.0 -38.97 79.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 -179.901 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 10.3 t -58.4 -44.39 88.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.173 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -61.95 -45.53 93.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.157 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.688 HG21 HG13 ' A' ' 142' ' ' VAL . 45.3 mt -58.81 -49.05 84.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.384 -179.695 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.761 HG21 ' CZ ' ' A' ' 162' ' ' TYR . 20.7 t -58.88 -50.13 80.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.861 0.362 . . . . 0.0 111.311 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -58.0 -47.19 83.75 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.139 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 27.2 p -56.99 -22.26 37.06 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.398 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.42 ' HB2' HG22 ' A' ' 133' ' ' VAL . 1.6 mmtt -87.69 -40.1 14.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.854 0.359 . . . . 0.0 110.86 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 156.5 42.38 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.594 -0.813 . . . . 0.0 112.708 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.625 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 75.63 -63.28 2.69 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.749 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -177.24 -51.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.332 . . . . 0.0 111.13 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -56.74 -44.73 81.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.189 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 3.1 ttm -60.93 -32.77 72.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.878 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.486 HG21 HG13 ' A' ' 124' ' ' VAL . 21.4 t -67.01 -48.65 78.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.11 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 2.9 m -65.64 -39.69 91.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.011 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -37.91 86.18 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -93.11 -13.8 28.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.18 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt 65.94 38.3 5.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.831 0.348 . . . . 0.0 110.79 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.651 ' O ' HG23 ' A' ' 142' ' ' VAL . 16.0 mtpt -89.46 9.57 25.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.297 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.422 ' CE2' ' HG2' ' A' ' 159' ' ' LYS . 88.0 m95 -65.4 -32.02 73.42 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.826 0.346 . . . . 0.0 110.756 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 6.5 m -66.55 -41.53 88.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.755 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 4.6 mtmt -65.35 -34.76 79.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.772 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.688 HG13 HG21 ' A' ' 123' ' ' ILE . 38.2 t -60.18 -45.22 96.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -68.93 -32.97 73.97 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.567 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 67.3 m -58.81 -36.32 74.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.339 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.02 -29.58 64.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.808 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.724 HD21 ' H ' ' A' ' 116' ' ' ASP . 0.3 OUTLIER -75.16 -66.35 0.77 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.828 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 171.84 41.54 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.509 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' TYR . . . . . 0.48 ' OH ' HD12 ' A' ' 115' ' ' LEU . 76.9 m-85 -115.08 134.34 55.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.833 0.349 . . . . 0.0 110.852 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 34.2 mt -105.77 141.78 23.41 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.773 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.18 154.17 14.67 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.535 2.157 . . . . 0.0 112.302 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -176.05 -82.33 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.492 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.47 -38.66 3.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.889 0.376 . . . . 0.0 110.956 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 169.64 -77.72 0.1 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.473 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' THR . . . . . 0.466 HG22 ' O ' ' A' ' 154' ' ' THR . 9.7 m 62.93 17.58 10.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.731 0.3 . . . . 0.0 111.279 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -75.24 -42.0 29.73 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.571 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 25.5 m -65.29 -35.57 81.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.745 0.307 . . . . 0.0 110.982 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 2.7 mp -63.95 -45.05 90.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.465 HD21 ' CE2' ' A' ' 148' ' ' TYR . 37.3 mt -62.18 -40.46 96.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.828 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 159' ' ' LYS . . . . . 0.422 ' HG2' ' CE2' ' A' ' 139' ' ' TRP . 19.3 mtpt -72.01 -43.59 64.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 2.0 m -65.52 -46.08 81.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 36.6 m-70 -66.19 -43.6 86.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.769 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 162' ' ' TYR . . . . . 0.761 ' CZ ' HG21 ' A' ' 124' ' ' VAL . 87.3 t80 -60.36 -49.05 79.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.707 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.415 ' HA ' ' CB ' ' A' ' 167' ' ' TYR . 22.6 tt0 -94.07 71.75 3.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.703 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.56 -39.19 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.519 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.483 HG22 HD21 ' A' ' 94' ' ' LEU . 2.7 mp -127.92 -61.63 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.964 HD22 HD23 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -64.53 -44.56 90.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.7 -179.242 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 167' ' ' TYR . . . . . 0.513 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 3.9 t80 -61.65 -57.26 25.84 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.522 -179.505 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 168' ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 11.0 Cg_endo -55.09 -25.89 47.65 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.22 1.947 . . . . 0.0 112.298 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -60.33 -53.07 61.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.722 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -57.53 -50.13 74.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 89.8 mt -57.65 -34.1 68.99 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -62.92 -31.27 72.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.81 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -69.03 -44.41 72.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.551 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 7.1 m -106.73 26.75 9.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.571 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.028 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.49 -179.924 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.12 94.94 0.65 Allowed 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.542 2.161 . . . . 0.0 112.343 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.643 HD13 ' HD2' ' A' ' 85' ' ' ARG . 10.8 mt 60.29 31.24 20.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.63 -68.53 2.34 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.551 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.62 37.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.883 0.373 . . . . 0.0 110.863 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.643 ' HD2' HD13 ' A' ' 82' ' ' LEU . 11.8 mtt85 -64.61 -49.93 69.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 22.4 m -61.51 -36.91 76.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.229 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.455 HH12 ' HB2' ' A' ' 119' ' ' ALA . 6.9 mtt180 -65.25 -43.5 91.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.965 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.0 -44.01 90.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.8 -43.05 85.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.111 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -58.63 -43.25 89.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.9 mp -64.74 -34.38 78.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -67.13 -36.86 82.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.029 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -66.68 -47.69 71.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.877 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.847 HD22 HD13 ' A' ' 105' ' ' LEU . 3.9 tt -62.64 -42.1 99.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.45 ' HB2' ' HB3' ' A' ' 105' ' ' LEU . . . -70.13 -45.45 66.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.2 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -64.9 -36.82 85.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.022 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.434 ' O ' ' NE2' ' A' ' 101' ' ' GLN . 7.8 t80 -67.12 -49.22 65.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.116 -179.711 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.443 ' HD1' HD23 ' A' ' 94' ' ' LEU . 47.6 m95 -65.97 -36.58 83.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.964 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.95 -41.95 75.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.987 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 50.0 mt -59.01 -31.63 68.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.684 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.434 ' NE2' ' O ' ' A' ' 97' ' ' PHE . 1.3 mp0 -73.96 -44.5 54.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.693 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 145.82 -14.63 1.76 Allowed Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.723 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 14.8 p -94.04 -162.48 0.95 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.743 0.306 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -156.94 133.38 9.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.839 0.352 . . . . 0.0 110.713 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.847 HD13 HD22 ' A' ' 94' ' ' LEU . 25.9 tp -65.48 119.41 10.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.401 ' O ' ' HD3' ' A' ' 108' ' ' PRO . 3.5 mttt -128.06 132.15 49.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.674 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.831 ' CD1' HD21 ' A' ' 117' ' ' LEU . 22.4 mm -105.82 101.06 30.97 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.195 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 106' ' ' LYS . 37.6 Cg_exo -60.18 165.38 10.8 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.494 2.129 . . . . 0.0 112.23 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 t -110.29 112.83 42.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.979 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.2 t -106.97 133.24 52.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.055 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.416 ' HG3' ' CD1' ' A' ' 148' ' ' TYR . 1.9 mm-40 59.32 35.99 23.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 59.74 35.75 22.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -150.44 153.64 36.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 32.0 mt -88.32 125.9 41.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.054 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.664 HD12 ' HG ' ' A' ' 146' ' ' LEU . 3.9 tp -90.01 143.62 26.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.955 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -78.29 174.21 11.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.785 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.831 HD21 ' CD1' ' A' ' 107' ' ' ILE . 5.0 mp -120.92 -55.72 1.97 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.999 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -55.9 -51.14 68.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.957 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.455 ' HB2' HH12 ' A' ' 87' ' ' ARG . . . -55.85 -45.91 78.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.383 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.679 ' O ' HG23 ' A' ' 124' ' ' VAL . 0.5 OUTLIER -58.17 -48.15 81.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 -179.81 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 16.7 t -57.99 -36.63 72.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.081 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.93 -45.69 73.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.047 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.724 HG21 HG13 ' A' ' 142' ' ' VAL . 38.7 mt -58.92 -44.01 89.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.354 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 120' ' ' LEU . 17.7 t -59.41 -50.18 80.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.801 0.334 . . . . 0.0 111.171 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.2 -41.32 88.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.318 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 15.5 p -56.82 -27.2 59.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.224 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.444 ' CB ' HG22 ' A' ' 133' ' ' VAL . 2.4 mptt -83.88 -25.76 29.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.973 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 153.55 -22.64 0.73 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.741 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.647 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 143.42 -56.07 0.56 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.444 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -179.67 -57.23 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.885 0.374 . . . . 0.0 110.855 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -59.93 -39.4 85.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.5 ttm -61.0 -34.03 74.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.444 HG22 ' CB ' ' A' ' 127' ' ' LYS . 21.7 t -66.99 -40.0 84.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.103 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 4.0 m -67.61 -46.07 73.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 10.4 mtpp -61.74 -38.09 86.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -85.41 -19.38 31.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.079 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 67.43 38.08 3.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.829 0.347 . . . . 0.0 110.803 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.72 ' O ' HG23 ' A' ' 142' ' ' VAL . 62.8 mmtt -91.17 10.94 24.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.287 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -65.23 -39.58 92.94 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.841 0.353 . . . . 0.0 110.816 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 3.6 m -64.31 -36.54 84.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -67.72 -35.67 79.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.848 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.724 HG13 HG21 ' A' ' 123' ' ' ILE . 21.9 t -59.73 -42.47 88.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.049 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -67.82 -39.16 89.85 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.426 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 3.2 m -59.96 -35.96 76.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.772 0.32 . . . . 0.0 110.842 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.53 -31.27 72.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.664 ' HG ' HD12 ' A' ' 115' ' ' LEU . 0.1 OUTLIER -72.33 -71.51 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 170.96 50.81 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.566 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' TYR . . . . . 0.681 ' HE2' HD21 ' A' ' 158' ' ' LEU . 23.3 m-85 -112.71 153.73 27.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.817 0.341 . . . . 0.0 110.953 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 5.4 mt -92.61 146.62 32.67 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.87 162.35 2.63 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.579 2.186 . . . . 0.0 112.265 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 144.83 -160.43 27.99 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.508 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 14.5 mtpt -105.2 128.93 53.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.787 0.327 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 106.88 -136.57 13.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.459 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 10.2 m 69.47 -63.53 0.38 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.802 0.334 . . . . 0.0 111.157 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -56.88 -33.95 64.47 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.602 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 67.8 m -60.89 -40.01 91.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.903 0.383 . . . . 0.0 110.933 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 5.2 mp -74.09 -41.47 61.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.681 HD21 ' HE2' ' A' ' 148' ' ' TYR . 11.3 mt -62.95 -45.11 94.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -48.09 83.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 48.0 m -67.12 -37.18 83.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -66.83 -48.01 70.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 162' ' ' TYR . . . . . 0.608 ' CE2' HG21 ' A' ' 124' ' ' VAL . 28.8 t80 -60.48 -49.02 79.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.838 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -88.82 54.82 3.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.796 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.03 -43.9 0.2 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.007 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.699 HG22 HD21 ' A' ' 94' ' ' LEU . 2.6 mp -132.16 -41.43 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.448 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.564 ' HG ' HD23 ' A' ' 117' ' ' LEU . 5.3 mp -73.51 -64.35 1.01 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.368 -179.515 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 167' ' ' TYR . . . . . 0.557 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 1.7 t80 -51.5 -54.99 33.24 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.985 -179.447 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 168' ' ' PRO . . . . . 0.557 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 10.4 Cg_endo -54.72 -26.05 45.18 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.333 2.022 . . . . 0.0 112.74 -179.343 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 169' ' ' TYR . . . . . 0.468 ' CD2' HD12 ' A' ' 94' ' ' LEU . 17.4 t80 -57.73 -53.2 60.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.877 0.37 . . . . 0.0 110.737 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -60.19 -49.95 75.58 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.774 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 0.533 HD12 ' HA ' ' A' ' 168' ' ' PRO . 3.8 mt -54.92 -34.47 63.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.993 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -65.71 -32.11 73.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.814 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 60.2 mm-40 -64.2 -44.33 92.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.613 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 3.3 m -110.91 26.29 10.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.511 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.44 -1.2 . . . . 0.0 112.52 179.997 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.161 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.37 -167.96 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.603 2.202 . . . . 0.0 112.233 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.2 mt -87.24 106.31 17.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.963 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -120.98 -52.96 0.24 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.441 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.2 m -116.66 100.03 7.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.897 0.38 . . . . 0.0 110.826 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.89 -50.36 17.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.133 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.4 HG23 ' N ' ' A' ' 87' ' ' ARG . 28.3 m -65.33 -40.58 88.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.302 -179.738 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.4 ' N ' HG23 ' A' ' 86' ' ' VAL . 12.6 mtp180 -65.83 -50.07 65.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.066 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.517 ' HA ' HD12 ' A' ' 91' ' ' LEU . 3.5 tt -61.31 -43.68 98.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.888 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -57.81 -42.78 84.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.092 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -67.11 -45.67 76.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.527 ' CD2' HD13 ' A' ' 117' ' ' LEU . 9.4 mt -59.95 -32.98 71.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -62.17 -47.09 86.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -62.49 -48.05 81.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.642 HD13 ' CG ' ' A' ' 169' ' ' TYR . 39.7 tp -64.14 -43.85 93.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.881 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.12 -45.4 66.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.302 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -69.26 -41.08 77.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.192 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -61.84 -49.49 76.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.044 -179.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 34.4 m95 -66.51 -37.79 85.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.075 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -55.81 -44.37 77.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.154 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 7.0 mt -60.33 -31.25 70.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -66.63 -39.27 88.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 115.79 17.66 6.35 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.632 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.21 -28.07 7.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.724 0.297 . . . . 0.0 110.983 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 7.1 m 64.42 147.58 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.566 HD12 ' HG ' ' A' ' 94' ' ' LEU . 4.4 tt -88.22 127.1 35.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.98 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -128.07 128.2 44.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.672 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 5.0 mt -102.81 94.04 4.88 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.164 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.25 132.94 23.56 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.508 2.139 . . . . 0.0 112.268 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.5 t -83.03 123.51 38.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.004 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.4 t -116.56 129.18 73.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.184 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 58.59 39.44 24.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.991 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.29 28.83 18.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -138.56 143.93 39.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 10.3 mt -78.75 123.56 35.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.066 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.465 ' CD1' HD23 ' A' ' 158' ' ' LEU . 4.0 tp -73.23 105.34 4.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -59.92 164.04 4.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.527 HD13 ' CD2' ' A' ' 91' ' ' LEU . 4.7 mp -118.97 -66.99 1.02 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.997 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -54.85 -51.24 66.51 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.858 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.74 -39.42 91.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.191 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.581 ' O ' HG23 ' A' ' 124' ' ' VAL . 27.7 tp -64.39 -47.16 80.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 41.9 t -57.99 -34.93 70.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.074 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.61 -45.87 74.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.123 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.796 HG21 HG13 ' A' ' 142' ' ' VAL . 45.1 mt -58.76 -44.84 91.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.395 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.612 HG21 ' CZ ' ' A' ' 162' ' ' TYR . 21.6 t -58.85 -50.32 79.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.132 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.19 -46.11 90.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.273 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 97.8 p -56.75 -24.52 50.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.34 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.419 ' HB2' HG22 ' A' ' 133' ' ' VAL . 11.0 mmtt -82.85 -22.57 34.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.862 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 149.8 -21.64 1.15 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.474 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.603 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 138.51 -56.42 0.65 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.287 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -179.02 -57.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.84 0.352 . . . . 0.0 110.842 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -61.24 -36.95 81.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.976 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 78.1 mmm -61.01 -34.79 75.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.519 HG12 ' CD1' ' A' ' 139' ' ' TRP . 16.5 t -67.02 -45.87 86.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.153 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 6.5 m -70.03 -31.93 69.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.999 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 13.8 mtmm -61.64 -33.02 73.22 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.001 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -112.75 2.91 16.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.496 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 57.93 35.41 25.31 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.823 0.344 . . . . 0.0 110.955 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.453 ' HB2' HG13 ' A' ' 133' ' ' VAL . 1.3 mmmm -75.55 -6.7 51.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.45 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.519 ' CD1' HG12 ' A' ' 133' ' ' VAL . 93.4 m95 -56.15 -34.46 66.17 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.804 0.335 . . . . 0.0 111.09 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 2.4 m -63.46 -33.02 74.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -71.97 -36.39 69.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.796 HG13 HG21 ' A' ' 123' ' ' ILE . 21.5 t -60.6 -48.97 86.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.516 ' HA3' HD11 ' A' ' 158' ' ' LEU . . . -65.34 -34.75 90.24 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.484 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 17.6 m -62.31 -41.83 98.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.943 0.401 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -61.94 -34.05 75.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.89 -29.34 70.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.826 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 117.95 33.61 1.25 Allowed Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.635 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' TYR . . . . . 0.585 ' CD2' HG21 ' A' ' 154' ' ' THR . 6.7 m-85 -86.89 154.47 20.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.764 0.316 . . . . 0.0 110.869 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 2.9 mt -86.41 134.54 37.99 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.6 173.55 0.24 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.457 2.105 . . . . 0.0 112.153 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 120.72 -104.02 0.95 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.55 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.53 173.95 7.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.809 0.338 . . . . 0.0 110.935 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -88.05 132.21 11.08 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.586 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' THR . . . . . 0.585 HG21 ' CD2' ' A' ' 148' ' ' TYR . 1.7 m -106.68 -21.49 13.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.753 0.311 . . . . 0.0 111.066 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -56.89 -34.03 64.64 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.684 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 49.8 m -68.09 -36.59 80.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.924 0.393 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 4.0 mp -74.11 -41.31 61.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.516 HD11 ' HA3' ' A' ' 143' ' ' GLY . 8.9 mt -64.36 -39.09 93.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 159' ' ' LYS . . . . . 0.439 ' HG2' ' CE2' ' A' ' 139' ' ' TRP . 0.0 OUTLIER -64.0 -47.04 81.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.955 -179.879 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 2.4 m -63.83 -44.88 91.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.07 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 15.5 m170 -72.02 -43.69 64.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.064 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 162' ' ' TYR . . . . . 0.612 ' CZ ' HG21 ' A' ' 124' ' ' VAL . 54.9 t80 -62.65 -49.06 76.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.132 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -94.43 67.55 3.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.101 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -160.69 -49.62 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 1.7 mp -123.61 -26.03 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.744 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 1.5 tt -92.47 -64.56 1.09 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.75 0.31 . . . . 0.0 111.365 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 167' ' ' TYR . . . . . 0.56 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 1.8 t80 -48.58 -55.32 20.05 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.774 -179.592 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 168' ' ' PRO . . . . . 0.56 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 11.0 Cg_endo -54.76 -29.25 61.34 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.392 2.061 . . . . 0.0 112.809 -179.62 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 169' ' ' TYR . . . . . 0.642 ' CG ' HD13 ' A' ' 94' ' ' LEU . 24.2 t80 -57.6 -53.21 60.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 0.0 110.874 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -58.11 -50.16 74.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 168' ' ' PRO . 5.8 mt -59.87 -34.15 72.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.979 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -58.73 -37.41 76.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -85.15 -42.78 14.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 12.9 m -97.92 31.16 2.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.156 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.274 -1.292 . . . . 0.0 112.608 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.203 0 N-CA-C 112.569 -0.212 . . . . 0.0 112.569 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.12 131.41 19.28 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.531 2.154 . . . . 0.0 112.288 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.9 mt -104.44 82.88 1.98 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -95.46 -81.02 1.54 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.57 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.5 m -111.81 27.42 9.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.759 0.314 . . . . 0.0 111.018 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 60.8 mtp85 -75.12 -47.92 26.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.809 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 10.6 m -66.68 -35.08 73.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.207 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.9 -50.02 70.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.71 ' HA ' HD12 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -64.54 -44.76 89.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.745 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.9 -39.32 77.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -58.69 -42.22 88.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.71 HD12 ' HA ' ' A' ' 88' ' ' LEU . 6.1 mt -62.17 -33.02 73.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.73 -46.6 74.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.972 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -61.56 -42.36 98.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.45 HD12 ' CD1' ' A' ' 169' ' ' TYR . 20.1 tp -66.53 -45.67 78.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.95 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.967 ' HB2' HD23 ' A' ' 105' ' ' LEU . . . -70.09 -38.51 75.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.386 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.0 mttt -74.41 -44.62 51.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.14 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.438 ' O ' ' NE2' ' A' ' 101' ' ' GLN . 16.4 t80 -62.37 -49.27 76.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.99 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 39.3 m95 -66.36 -33.14 75.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.939 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.83 -39.34 71.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.006 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.3 mp -59.04 -33.47 70.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.438 ' NE2' ' O ' ' A' ' 97' ' ' PHE . 1.9 mp0 -70.03 -44.35 69.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 112.5 23.99 5.19 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.494 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.6 -25.01 13.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.748 0.309 . . . . 0.0 111.074 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 7.8 m 65.38 128.51 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.833 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.967 HD23 ' HB2' ' A' ' 95' ' ' ALA . 45.4 tp -78.93 126.4 30.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.013 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.422 ' O ' ' HD3' ' A' ' 108' ' ' PRO . 1.2 mttp -128.14 132.4 48.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.619 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.1 mp -108.11 98.53 26.83 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.284 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.422 ' HD3' ' O ' ' A' ' 106' ' ' LYS . 17.7 Cg_exo -66.57 176.29 4.35 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.707 2.271 . . . . 0.0 112.305 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 31.2 t -122.88 120.87 61.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.77 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 20.8 t -109.62 122.1 63.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.393 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 55.56 45.09 25.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.149 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.99 27.53 13.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.94 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 5.0 tttm -136.92 140.33 42.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.786 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.542 ' H ' HD12 ' A' ' 114' ' ' ILE . 3.5 mp -69.66 138.54 21.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.492 HD21 HD22 ' A' ' 158' ' ' LEU . 0.5 OUTLIER -87.04 112.7 22.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.017 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -69.03 157.65 36.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.804 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.727 HD23 ' HG ' ' A' ' 166' ' ' LEU . 4.6 mp -115.88 -58.25 2.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.066 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.42 ' CE2' ' HE3' ' A' ' 122' ' ' LYS . 13.7 t80 -56.22 -51.12 69.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.04 -44.9 95.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.322 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.686 ' O ' HG23 ' A' ' 124' ' ' VAL . 0.7 OUTLIER -60.76 -48.98 79.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.059 -179.716 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.5 t -58.63 -35.65 72.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.106 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.42 ' HE3' ' CE2' ' A' ' 118' ' ' TYR . 20.6 mttt -67.95 -46.69 70.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.064 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.796 HG21 HG13 ' A' ' 142' ' ' VAL . 23.6 mt -58.96 -39.75 78.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.384 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 120' ' ' LEU . 22.1 t -62.26 -50.27 80.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.102 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.5 -38.57 84.74 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.288 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 25.9 p -56.76 -26.74 58.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.276 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.525 ' HB2' HG22 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -83.91 -25.59 30.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.916 179.887 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 152.3 -22.44 0.86 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.614 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.678 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 145.88 -58.96 0.5 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.346 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.427 ' HB2' ' CZ ' ' A' ' 167' ' ' TYR . 19.7 t80 -179.48 -56.92 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.832 0.349 . . . . 0.0 110.861 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -57.44 -39.23 75.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.999 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 4.3 mmm -60.95 -37.63 83.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.756 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.667 HG12 ' CD1' ' A' ' 139' ' ' TRP . 25.0 t -67.01 -44.45 88.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.074 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.2 m -69.11 -45.74 69.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.66 -35.81 79.03 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.954 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -89.55 -19.62 24.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.018 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.94 37.75 2.99 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.883 0.373 . . . . 0.0 111.002 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -97.43 18.26 15.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.667 ' CD1' HG12 ' A' ' 133' ' ' VAL . 62.0 m95 -67.06 -34.9 78.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.875 0.369 . . . . 0.0 110.897 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 5.4 m -59.94 -38.86 83.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.832 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -62.02 -32.29 72.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.796 HG13 HG21 ' A' ' 123' ' ' ILE . 21.6 t -63.51 -49.0 84.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.152 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -61.52 -32.76 82.38 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.606 -0.806 . . . . 0.0 112.511 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 22.4 m -65.92 -43.24 88.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.787 0.327 . . . . 0.0 110.843 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -31.27 71.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.492 HD11 HD23 ' A' ' 120' ' ' LEU . 7.1 mt -73.73 -31.33 63.31 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.813 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 122.1 45.08 0.34 Allowed Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.576 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' TYR . . . . . 0.583 ' CE2' HD21 ' A' ' 158' ' ' LEU . 5.9 m-85 -101.21 158.95 15.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.804 0.335 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 16.4 mt -103.58 153.82 38.33 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -68.6 132.46 25.33 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.536 2.157 . . . . 0.0 112.238 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 179.63 -171.26 42.9 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.49 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 47.4 mttp -96.39 143.09 27.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.908 0.385 . . . . 0.0 110.782 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 60.13 90.64 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.588 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 49.8 m -158.67 -53.66 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.765 0.316 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -61.49 -38.84 96.45 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.634 -0.794 . . . . 0.0 112.499 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 67.9 m -66.04 -34.4 77.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.852 0.358 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 9.7 mp -65.29 -46.06 81.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.803 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.583 HD21 ' CE2' ' A' ' 148' ' ' TYR . 44.8 mt -60.88 -35.44 76.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.956 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 159' ' ' LYS . . . . . 0.417 ' HG2' ' CE2' ' A' ' 139' ' ' TRP . 0.1 OUTLIER -68.76 -38.16 79.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.923 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 68.3 m -66.55 -45.7 78.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 44.0 m80 -63.93 -43.11 96.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 162' ' ' TYR . . . . . 0.489 ' CD1' HD12 ' A' ' 120' ' ' LEU . 30.0 t80 -62.91 -35.5 80.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.403 ' OE1' ' CZ ' ' A' ' 130' ' ' PHE . 11.7 tp10 -97.07 44.79 1.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.828 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.64 -46.39 0.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 1.8 mp -134.8 -36.18 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.394 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.727 ' HG ' HD23 ' A' ' 117' ' ' LEU . 5.9 mp -69.5 -74.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.494 -179.422 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 167' ' ' TYR . . . . . 0.581 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 2.1 t80 -54.74 -53.45 60.41 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.292 -0.413 . . . . 0.0 112.045 -179.415 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 168' ' ' PRO . . . . . 0.581 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 9.3 Cg_endo -54.49 -25.77 41.91 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.253 1.968 . . . . 0.0 112.826 -179.12 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 169' ' ' TYR . . . . . 0.45 ' CD1' HD12 ' A' ' 94' ' ' LEU . 58.9 t80 -58.61 -53.08 62.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.757 0.313 . . . . 0.0 110.661 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.43 -50.15 70.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 0.54 HD22 ' O ' ' A' ' 175' ' ' GLY . 51.5 mt -54.9 -33.9 62.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.068 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -68.38 -32.0 71.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -66.39 -44.05 84.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.963 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 2.3 m -179.96 39.21 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.923 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 175' ' ' GLY . . . . . 0.54 ' O ' HD22 ' A' ' 171' ' ' LEU . . . . . . . . 0 C--O 1.25 1.132 0 CA-C-O 118.404 -1.22 . . . . 0.0 112.571 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.237 0 N-CA-C 112.593 -0.203 . . . . 0.0 112.593 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -74.33 103.05 1.62 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.657 2.238 . . . . 0.0 112.306 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.8 mp -94.5 111.6 23.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -122.04 -100.9 1.64 Allowed Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.512 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.8 p -127.67 87.89 2.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.942 0.401 . . . . 0.0 110.999 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -73.83 -49.86 23.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.938 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 17.1 m -58.27 -35.87 55.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.239 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.3 ttp180 -63.49 -44.69 93.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.49 -43.49 96.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.8 -43.08 85.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.157 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -60.23 -41.93 94.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.083 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.82 -41.48 97.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.073 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -61.34 -37.11 82.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.231 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -68.13 -43.24 78.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.03 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.544 HD12 ' CD2' ' A' ' 169' ' ' TYR . 4.2 tt -68.0 -42.92 79.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.962 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.04 -44.98 68.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.247 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.92 -41.81 95.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.161 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -59.56 -49.12 79.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.487 ' CD1' HD23 ' A' ' 105' ' ' LEU . 42.6 m95 -66.03 -36.14 82.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.9 -39.79 72.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 64.1 mt -59.15 -38.69 80.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.807 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -63.01 -45.03 94.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.835 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 114.86 22.94 4.82 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.487 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -103.93 -25.35 13.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.729 0.299 . . . . 0.0 111.02 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 10.6 m 68.84 119.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.753 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.537 HD21 ' CG2' ' A' ' 165' ' ' ILE . 0.4 OUTLIER -79.23 126.18 30.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.081 -179.826 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.496 ' N ' HD13 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -124.05 109.85 14.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.759 179.813 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 4.7 mt -71.89 110.91 8.76 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.08 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -69.03 156.16 66.12 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.446 2.097 . . . . 0.0 112.198 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 t -117.01 112.78 40.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.174 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.4 t -112.07 135.29 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 60.49 32.93 20.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 61.0 32.27 19.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -151.34 155.11 38.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 32.2 mt -77.22 132.49 32.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.088 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.595 HD21 HD22 ' A' ' 120' ' ' LEU . 7.6 tt -87.17 122.53 31.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.046 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -67.13 142.23 57.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.784 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.487 ' CA ' HD11 ' A' ' 166' ' ' LEU . 14.0 mt -98.58 -54.45 3.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.974 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -56.93 -51.03 70.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.2 -46.65 89.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.16 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.748 ' O ' HG23 ' A' ' 124' ' ' VAL . 52.3 tp -62.61 -41.68 99.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.021 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.0 t -58.3 -38.73 77.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.078 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.1 mmtm -68.11 -45.03 74.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.08 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 1.032 HG21 HG13 ' A' ' 142' ' ' VAL . 55.1 mt -58.73 -38.67 73.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.368 -179.698 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 120' ' ' LEU . 16.9 t -68.07 -50.29 60.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.101 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.34 -44.8 95.63 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.249 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 35.9 p -56.71 -24.35 48.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.224 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.512 ' CB ' HG22 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -82.77 -24.55 33.41 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.86 179.841 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 151.85 -22.4 0.9 Allowed Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.625 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.632 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 145.38 -61.27 0.48 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.507 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.407 ' CZ ' ' HE2' ' A' ' 159' ' ' LYS . 88.7 t80 -178.83 -59.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.899 0.38 . . . . 0.0 110.821 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -58.96 -37.23 76.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.987 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -61.0 -38.32 85.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.783 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.749 HG12 ' CD1' ' A' ' 139' ' ' TRP . 16.2 t -66.99 -39.91 84.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.056 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.46 -46.01 74.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -61.96 -38.11 87.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.981 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -86.6 -20.67 27.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.039 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 10.2 tttt 65.88 37.1 5.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.914 0.388 . . . . 0.0 110.816 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.78 8.5 28.65 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.358 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.749 ' CD1' HG12 ' A' ' 133' ' ' VAL . 85.8 m95 -62.25 -32.01 72.65 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.796 0.332 . . . . 0.0 110.73 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 7.4 m -60.84 -37.43 82.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.749 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -69.66 -33.38 72.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.8 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 1.032 HG13 HG21 ' A' ' 123' ' ' ILE . 29.9 t -59.95 -47.06 93.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.007 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -64.26 -35.31 91.81 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.415 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 3.2 m -61.24 -37.76 84.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.824 0.345 . . . . 0.0 110.809 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.25 -31.61 72.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 9.3 mp -78.86 -59.32 2.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 156.1 43.99 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.475 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' TYR . . . . . 0.746 ' CE2' HD21 ' A' ' 158' ' ' LEU . 7.8 m-85 -105.58 137.43 43.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.892 0.377 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 24.2 mt -104.65 153.81 38.95 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.58 117.71 5.06 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.516 2.144 . . . . 0.0 112.313 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -131.67 -112.32 1.43 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.534 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -105.66 -60.23 1.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.797 0.332 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' GLY . . . . . 0.51 ' O ' HD23 ' A' ' 157' ' ' LEU . . . -163.87 91.37 0.11 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.414 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 5.2 m -110.66 -30.26 7.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.8 0.334 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -58.42 -41.9 95.49 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.525 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 1.6 m -63.53 -31.22 72.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.883 0.373 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.51 HD23 ' O ' ' A' ' 153' ' ' GLY . 4.0 mm? -72.95 -32.64 65.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.954 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.746 HD21 ' CE2' ' A' ' 148' ' ' TYR . 77.3 mt -67.9 -44.94 75.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 159' ' ' LYS . . . . . 0.407 ' HE2' ' CZ ' ' A' ' 130' ' ' PHE . 3.3 tmtt? -61.93 -44.92 95.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.922 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 5.3 m -66.8 -43.1 84.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -65.03 -43.61 91.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 162' ' ' TYR . . . . . 0.439 ' CE2' ' CD1' ' A' ' 167' ' ' TYR . 70.9 t80 -61.37 -49.01 78.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.958 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -90.93 70.16 6.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.36 -41.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.101 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.537 ' CG2' HD21 ' A' ' 105' ' ' LEU . 1.9 mp -129.39 -42.1 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.524 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.487 HD11 ' CA ' ' A' ' 117' ' ' LEU . 1.3 tt -78.03 -57.31 3.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.531 -179.422 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 167' ' ' TYR . . . . . 0.55 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 1.5 t80 -55.29 -55.45 39.49 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.824 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 168' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 10.4 Cg_endo -54.78 -25.72 44.14 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.401 2.068 . . . . 0.0 112.849 -179.375 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 169' ' ' TYR . . . . . 0.544 ' CD2' HD12 ' A' ' 94' ' ' LEU . 27.7 t80 -56.8 -53.19 60.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 110.779 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.94 -50.05 74.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.042 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 0.501 ' H ' HD12 ' A' ' 171' ' ' LEU . 6.2 mp -56.07 -34.0 65.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.16 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -65.32 -31.34 72.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 -66.39 -44.32 83.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.572 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -110.27 26.83 10.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.52 179.561 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.324 -1.264 . . . . 0.0 112.491 180.0 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.276 0 N-CA-C 112.583 -0.207 . . . . 0.0 112.583 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.23 116.12 4.56 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.482 2.121 . . . . 0.0 112.3 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.404 HD23 HG11 ' A' ' 86' ' ' VAL . 3.1 mt -109.2 119.12 38.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -163.0 -92.73 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.57 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.1 m -109.85 -29.53 8.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.726 0.298 . . . . 0.0 110.968 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.31 -44.95 92.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.983 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.404 HG11 HD23 ' A' ' 82' ' ' LEU . 15.6 m -60.0 -35.98 64.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.153 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -63.23 -49.18 75.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.24 -42.74 99.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.77 -42.91 85.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -58.38 -48.97 78.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.438 HD11 HD13 ' A' ' 117' ' ' LEU . 5.2 mp -60.02 -32.97 71.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.05 -45.44 93.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.939 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 61.7 mm-40 -66.32 -40.05 89.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.542 ' HG ' HD13 ' A' ' 105' ' ' LEU . 56.0 tp -64.97 -45.21 86.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.801 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 1.054 ' HB2' HD22 ' A' ' 105' ' ' LEU . . . -69.85 -43.13 72.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.5 mmtm -66.29 -43.33 86.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.467 ' HA ' HD12 ' A' ' 100' ' ' LEU . 66.8 t80 -63.52 -49.12 74.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.048 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 33.8 m95 -66.02 -36.14 82.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -55.8 -42.59 75.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.039 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' A' ' 97' ' ' PHE . 4.7 mt -60.99 -31.82 71.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.833 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -70.45 -41.72 72.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 112.4 22.87 5.66 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.498 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.09 -27.0 13.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.81 0.338 . . . . 0.0 111.06 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 23.6 m 65.54 105.61 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 1.054 HD22 ' HB2' ' A' ' 95' ' ' ALA . 0.7 OUTLIER -64.31 134.79 55.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.018 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -128.03 132.17 49.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.751 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.0 mp -99.19 96.96 4.68 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.234 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.71 132.98 24.56 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.469 2.113 . . . . 0.0 112.351 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 t -94.91 116.69 36.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.986 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 18.2 t -106.94 123.12 61.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.196 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.552 ' OE2' HD12 ' A' ' 149' ' ' LEU . 7.3 mm-40 59.99 38.44 20.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.38 30.02 19.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.956 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.8 mtmp? -142.51 144.86 33.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.558 ' H ' HD12 ' A' ' 114' ' ' ILE . 3.6 mp -73.74 131.36 35.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.079 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.559 HD23 ' O ' ' A' ' 116' ' ' ASP . 7.9 tt -79.41 119.19 22.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.559 ' O ' HD23 ' A' ' 115' ' ' LEU . 10.1 t0 -60.28 152.45 24.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.823 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.438 HD13 HD11 ' A' ' 91' ' ' LEU . 4.9 mp -124.6 -54.47 1.66 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.08 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -55.24 -51.18 67.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.126 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.19 -47.14 80.92 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.333 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.509 ' CD1' HG11 ' A' ' 142' ' ' VAL . 49.6 tp -58.94 -41.23 86.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.251 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.7 t -58.02 -38.91 77.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.15 -40.18 82.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.105 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.562 HD13 HG13 ' A' ' 142' ' ' VAL . 71.3 mt -58.91 -48.93 84.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.369 -179.527 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.704 HG12 ' O ' ' A' ' 129' ' ' GLY . 19.6 t -57.22 -50.24 77.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.31 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.61 -43.21 99.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.232 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 17.4 p -56.74 -24.83 52.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.258 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.482 ' CB ' HG22 ' A' ' 133' ' ' VAL . 0.2 OUTLIER -84.12 -24.19 30.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.964 179.837 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 148.62 -19.4 1.3 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.668 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.704 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 144.87 -55.62 0.55 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.45 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.446 ' HB2' ' CZ ' ' A' ' 167' ' ' TYR . 12.1 t80 -178.69 -55.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.81 0.338 . . . . 0.0 110.972 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -58.33 -38.62 77.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.925 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.01 -35.08 75.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.482 HG22 ' CB ' ' A' ' 127' ' ' LYS . 30.4 t -67.03 -43.29 89.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.012 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 4.1 m -69.69 -45.4 68.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 36.8 mttt -61.77 -32.68 72.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -92.61 -13.54 29.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.228 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 66.33 31.69 8.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.876 0.37 . . . . 0.0 110.774 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.627 ' O ' HG23 ' A' ' 142' ' ' VAL . 17.3 mmtt -76.76 -13.81 59.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.28 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.428 ' CE2' ' HG2' ' A' ' 159' ' ' LYS . 85.5 m95 -53.05 -38.54 62.53 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.79 0.329 . . . . 0.0 111.107 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 40.8 m -64.22 -40.54 96.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.762 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 9.1 mmmt -68.12 -33.41 74.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.859 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 138' ' ' LYS . 35.4 t -60.44 -48.61 87.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.131 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -60.08 -39.15 95.39 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.523 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 70.4 m -67.07 -36.8 82.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.792 0.329 . . . . 0.0 110.946 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -34.1 76.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -68.66 -58.17 4.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.816 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 145.0 44.98 0.04 OUTLIER Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.58 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' TYR . . . . . 0.505 ' CZ ' HD21 ' A' ' 158' ' ' LEU . 5.2 m-85 -91.64 176.7 6.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.765 0.317 . . . . 0.0 110.999 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.552 HD12 ' OE2' ' A' ' 111' ' ' GLU . 1.5 mt -120.9 154.01 57.51 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.68 98.8 0.8 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.519 2.146 . . . . 0.0 112.264 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -135.92 -160.74 8.96 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.531 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 19.2 mttp -79.83 102.73 9.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.778 0.323 . . . . 0.0 110.943 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 66.33 135.38 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.478 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -159.7 -46.29 0.05 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.795 0.331 . . . . 0.0 110.91 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -63.6 -41.75 99.02 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.544 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 2.3 m -64.49 -32.58 74.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 21.3 mt -65.28 -46.02 82.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.909 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.505 HD21 ' CZ ' ' A' ' 148' ' ' TYR . 75.6 mt -60.5 -42.37 96.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.828 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 159' ' ' LYS . . . . . 0.428 ' HG2' ' CE2' ' A' ' 139' ' ' TRP . 0.0 OUTLIER -65.36 -40.93 94.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.817 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 13.4 m -67.0 -40.81 87.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 51.6 m-70 -72.05 -45.98 58.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 162' ' ' TYR . . . . . 0.604 ' CE2' HG21 ' A' ' 124' ' ' VAL . 75.2 t80 -59.04 -48.07 82.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -88.08 55.1 3.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.763 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 164' ' ' ARG . . . . . 0.501 ' HB3' HD12 ' A' ' 165' ' ' ILE . 0.0 OUTLIER -144.42 -43.94 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.098 -179.859 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.792 HG21 HD12 ' A' ' 105' ' ' LEU . 2.6 mp -131.43 -42.74 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.43 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.488 HD13 ' CE1' ' A' ' 162' ' ' TYR . 0.5 OUTLIER -69.75 -68.01 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.453 -179.535 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 167' ' ' TYR . . . . . 0.559 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 3.1 t80 -48.53 -54.61 24.93 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.978 -179.547 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 168' ' ' PRO . . . . . 0.559 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 10.6 Cg_endo -54.86 -25.48 43.66 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.303 2.002 . . . . 0.0 112.534 -179.651 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 169' ' ' TYR . . . . . 0.465 ' CG ' HD13 ' A' ' 94' ' ' LEU . 17.6 t80 -56.91 -53.2 60.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.829 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.79 -50.06 75.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.925 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 0.54 HD12 ' HA ' ' A' ' 168' ' ' PRO . 7.7 mt -58.87 -40.02 83.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.126 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -58.65 -37.24 75.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.052 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -85.02 -43.02 14.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.991 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 3.0 m -97.18 30.55 2.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.058 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.301 -1.277 . . . . 0.0 112.533 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.49 -45.55 1.17 Allowed 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.51 2.14 . . . . 0.0 112.309 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.8 mp -81.75 97.34 7.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -91.15 -116.75 2.01 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.492 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.1 m -148.08 51.52 1.03 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.993 0.425 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 41.7 mtt180 -67.17 -47.38 71.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 8.1 m -66.1 -35.01 74.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.218 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.99 -46.17 75.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.22 -43.6 94.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -57.87 -42.04 83.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.118 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -58.05 -50.07 74.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.01 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.7 mp -61.0 -32.9 72.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.96 -46.64 89.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.998 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 -61.46 -42.92 99.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.942 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.701 HD11 ' HA ' ' A' ' 166' ' ' LEU . 0.8 OUTLIER -68.0 -39.61 83.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.796 -179.868 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.742 ' HB2' HD22 ' A' ' 105' ' ' LEU . . . -69.98 -43.06 72.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.172 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.456 ' O ' HD23 ' A' ' 100' ' ' LEU . 1.7 mtmt -71.08 -33.0 69.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.993 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -66.05 -49.27 68.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.007 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.416 ' HD1' HD23 ' A' ' 94' ' ' LEU . 44.5 m95 -66.13 -35.55 80.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.976 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.78 -45.14 78.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.057 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.456 HD23 ' O ' ' A' ' 96' ' ' LYS . 4.0 mm? -63.46 -31.18 72.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.591 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -70.89 -39.23 72.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.757 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 137.58 -9.49 3.72 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.875 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.9 -164.26 1.09 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.856 0.36 . . . . 0.0 110.86 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.0 t -152.4 143.13 22.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.743 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.742 HD22 ' HB2' ' A' ' 95' ' ' ALA . 0.6 OUTLIER -84.21 120.43 26.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -127.81 128.07 44.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.722 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.7 mp -98.53 100.82 10.07 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.271 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.19 -179.75 4.25 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.495 2.13 . . . . 0.0 112.338 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.5 t -124.67 128.03 73.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.032 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 20.6 t -109.67 124.09 66.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.286 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 66.95 -66.84 0.18 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.093 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.42 38.88 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.752 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.53 160.3 34.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.679 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 3.7 mt -86.86 129.55 38.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.181 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 7.6 tt -76.91 103.05 6.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -58.47 159.22 6.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.969 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.814 HD22 HD22 ' A' ' 166' ' ' LEU . 16.3 mt -116.65 -59.78 1.93 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.424 ' CE2' ' HE3' ' A' ' 122' ' ' LYS . 14.5 t80 -57.08 -51.25 70.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.855 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.16 -42.39 99.42 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.078 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.797 ' O ' HG23 ' A' ' 124' ' ' VAL . 31.8 tp -69.04 -33.02 72.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.976 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 37.0 t -69.08 -35.89 77.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.029 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.424 ' HE3' ' CE2' ' A' ' 118' ' ' TYR . 3.2 mttm -67.77 -45.3 75.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.992 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.519 HG22 ' HE2' ' A' ' 127' ' ' LYS . 56.2 mt -58.83 -38.85 75.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.404 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 120' ' ' LEU . 22.7 t -64.93 -50.23 76.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.235 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.33 -44.52 95.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.313 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 59.9 p -56.79 -26.75 58.49 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.251 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.7 ' HD2' HG22 ' A' ' 133' ' ' VAL . 11.2 mttm -84.17 -26.36 28.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.996 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 156.38 -23.98 0.51 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.608 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.562 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 134.63 -49.43 0.9 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.529 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.452 ' CD2' ' CZ ' ' A' ' 167' ' ' TYR . 7.9 t80 -176.72 -53.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.94 0.4 . . . . 0.0 110.893 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -59.68 -42.26 92.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 16.8 mmt -61.02 -39.06 88.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.974 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.7 HG22 ' HD2' ' A' ' 127' ' ' LYS . 20.7 t -66.88 -46.86 84.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.063 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.8 m -69.96 -39.09 76.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.978 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -61.69 -31.79 71.94 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -103.0 -0.53 30.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.447 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp 59.71 30.81 20.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.893 0.378 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.651 ' O ' HG23 ' A' ' 142' ' ' VAL . 0.1 OUTLIER -72.79 -11.92 60.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.296 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 86.9 m95 -53.76 -39.72 65.59 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.851 0.358 . . . . 0.0 111.122 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 75.6 m -69.98 -33.03 71.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.95 -31.75 66.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 138' ' ' LYS . 24.7 t -67.69 -47.16 80.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.106 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -63.96 -40.09 97.93 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.534 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 3.1 m -62.7 -37.29 85.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.837 0.351 . . . . 0.0 110.891 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.05 -31.7 72.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -77.53 -58.47 3.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.949 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 166.23 42.4 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.536 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' TYR . . . . . 0.537 ' CE2' HD21 ' A' ' 158' ' ' LEU . 5.5 m-85 -110.53 133.94 52.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.368 . . . . 0.0 110.877 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 77.4 mt -87.75 150.56 48.47 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.65 93.13 0.6 Allowed 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.485 2.123 . . . . 0.0 112.329 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -117.49 176.87 16.37 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.557 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -65.29 101.43 0.56 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.814 0.34 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 76.5 129.15 0.33 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.471 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -161.53 -44.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 110.913 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -57.05 -37.32 78.78 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.544 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 2.5 m -67.24 -35.88 80.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.774 0.321 . . . . 0.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 3.1 mt -74.03 -46.06 45.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.769 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.537 HD21 ' CE2' ' A' ' 148' ' ' TYR . 6.1 mt -61.65 -44.98 95.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.66 -39.38 94.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 17.8 m -67.11 -46.13 75.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.068 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 26.7 m-70 -71.02 -38.8 72.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.015 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 162' ' ' TYR . . . . . 0.822 ' CD1' HD11 ' A' ' 166' ' ' LEU . 85.1 t80 -68.04 -34.93 77.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.027 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.429 ' HG3' ' CD2' ' A' ' 167' ' ' TYR . 29.7 tt0 -107.41 77.73 1.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.082 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 164' ' ' ARG . . . . . 0.525 ' HG3' HD12 ' A' ' 165' ' ' ILE . 10.0 ptp180 -169.13 -34.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.781 179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.525 HD12 ' HG3' ' A' ' 164' ' ' ARG . 1.5 mt -124.54 -55.39 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.192 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.822 HD11 ' CD1' ' A' ' 162' ' ' TYR . 0.6 OUTLIER -77.49 -36.48 52.66 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -178.927 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 167' ' ' TYR . . . . . 0.531 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 5.1 t80 -68.26 -55.97 11.59 Favored Pre-proline 0 C--N 1.329 -0.295 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.507 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 168' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 10.5 Cg_endo -54.84 -25.86 45.35 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.319 2.013 . . . . 0.0 112.389 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 169' ' ' TYR . . . . . 0.426 ' CD1' ' HG ' ' A' ' 94' ' ' LEU . 88.4 t80 -59.04 -53.16 61.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.821 0.344 . . . . 0.0 110.679 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.07 -50.18 75.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.821 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 0.41 HD22 ' N ' ' A' ' 171' ' ' LEU . 4.0 mm? -58.94 -33.94 71.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -57.35 -41.93 81.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.938 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -85.08 -40.55 16.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.056 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 2.5 m -97.85 31.39 2.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.979 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.404 -1.22 . . . . 0.0 112.584 -179.964 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.169 0 N-CA-C 112.539 -0.224 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.63 -21.01 34.68 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.583 2.189 . . . . 0.0 112.392 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.1 mp -127.69 125.86 40.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.014 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 123.43 -33.36 4.01 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.665 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.69 13.28 20.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.596 0.236 . . . . 0.0 111.311 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -75.17 -50.94 14.66 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.894 0.378 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 18.7 m -60.64 -39.0 80.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.262 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -50.04 70.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.45 -40.4 96.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -57.84 -42.53 84.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -59.8 -42.05 92.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.096 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.423 HD22 HD12 ' A' ' 117' ' ' LEU . 31.4 mt -66.81 -40.3 88.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -61.06 -42.45 98.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -62.82 -43.24 99.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.956 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.706 HD22 ' CD1' ' A' ' 105' ' ' LEU . 0.5 OUTLIER -67.91 -38.9 83.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.475 ' HB2' ' HB3' ' A' ' 105' ' ' LEU . . . -67.2 -43.96 80.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.213 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -64.91 -43.16 93.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.56 ' HA ' HD12 ' A' ' 100' ' ' LEU . 55.1 t80 -60.19 -49.01 79.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.054 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.565 ' HD1' HD23 ' A' ' 94' ' ' LEU . 29.5 m95 -65.74 -38.42 89.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.037 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -55.85 -43.16 76.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.036 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.56 HD12 ' HA ' ' A' ' 97' ' ' PHE . 5.3 mt -59.03 -28.54 66.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.702 179.72 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -78.95 -45.3 20.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.837 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.91 -16.36 1.2 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.795 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.03 -165.48 1.36 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.76 0.314 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.402 ' O ' HG23 ' A' ' 104' ' ' THR . 9.6 t -160.99 121.73 2.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.826 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.706 ' CD1' HD22 ' A' ' 94' ' ' LEU . 0.5 OUTLIER -64.4 118.53 8.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.05 109.96 12.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.502 ' H ' HD12 ' A' ' 107' ' ' ILE . 3.2 mp -69.29 111.63 9.26 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.205 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -76.92 165.62 28.15 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.455 2.104 . . . . 0.0 112.458 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 t -114.17 105.89 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.038 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.4 t -111.42 136.5 47.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.319 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 57.91 37.1 26.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.056 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.59 29.62 18.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.846 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.31 156.65 42.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.804 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 6.3 mt -71.71 140.53 18.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.041 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.476 HD11 HD23 ' A' ' 158' ' ' LEU . 2.8 tt -92.51 100.47 13.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -60.24 137.16 58.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.725 HD22 HD23 ' A' ' 166' ' ' LEU . 21.1 mt -102.07 -47.96 4.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -60.46 -51.31 70.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.79 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.91 -45.31 95.15 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.241 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.871 ' O ' HG23 ' A' ' 124' ' ' VAL . 13.6 tp -58.53 -33.02 69.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.053 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.3 t -67.99 -41.54 82.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.982 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -68.03 -43.04 79.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.035 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.956 HG21 HG13 ' A' ' 142' ' ' VAL . 10.7 mt -58.76 -49.12 83.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.303 -179.621 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.871 HG23 ' O ' ' A' ' 120' ' ' LEU . 20.1 t -59.34 -50.05 81.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.207 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.28 -43.99 83.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.278 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 51.5 p -56.85 -27.03 59.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.148 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -83.15 -26.26 31.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.832 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 155.52 -23.73 0.57 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.629 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.609 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 141.28 -56.87 0.59 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.47 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -179.24 -57.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.762 0.315 . . . . 0.0 110.815 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -60.1 -36.26 77.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.08 -39.3 89.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.737 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 15.8 t -66.99 -40.08 84.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.059 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.3 m -69.75 -43.69 71.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -61.79 -37.97 86.34 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -89.8 -17.3 28.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 67.4 39.34 2.96 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.802 0.335 . . . . 0.0 110.851 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 3.4 mmmt -96.04 19.56 11.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.128 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.411 ' CD1' ' HD2' ' A' ' 159' ' ' LYS . 63.3 m95 -67.1 -36.87 82.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.814 0.34 . . . . 0.0 110.881 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.08 -36.4 83.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.965 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.53 -38.5 91.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.769 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.956 HG13 HG21 ' A' ' 123' ' ' ILE . 32.4 t -60.37 -48.63 87.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.061 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -60.65 -36.21 91.11 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.432 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 12.7 m -63.17 -35.81 81.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.329 . . . . 0.0 110.976 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.93 -34.1 73.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.939 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 2.8 mt -72.28 -69.45 0.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.744 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 158.41 41.13 0.02 OUTLIER Glycine 0 N--CA 1.453 -0.196 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.49 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -112.2 113.72 26.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.703 0.287 . . . . 0.0 110.924 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 37.7 mt -59.76 117.76 25.86 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.823 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -55.94 -166.43 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.504 2.136 . . . . 0.0 112.289 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 134.85 -108.86 0.73 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.437 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -124.53 103.6 8.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.765 0.316 . . . . 0.0 110.868 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 102.37 -132.5 11.02 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.492 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 9.5 m 69.34 -63.62 0.37 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.765 0.317 . . . . 0.0 111.227 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -56.9 -34.01 64.63 Favored Glycine 0 C--N 1.329 0.168 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.54 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 39.8 m -65.39 -40.68 93.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.908 0.385 . . . . 0.0 110.77 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 2.3 mt -72.39 -32.12 66.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.476 HD23 HD11 ' A' ' 115' ' ' LEU . 23.4 mt -62.41 -44.87 95.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.931 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 159' ' ' LYS . . . . . 0.411 ' HD2' ' CD1' ' A' ' 139' ' ' TRP . 2.1 mtpt -60.97 -47.48 86.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 40.1 m -67.11 -46.01 75.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.977 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -64.8 -38.01 89.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.967 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 162' ' ' TYR . . . . . 0.797 ' CD1' HD11 ' A' ' 166' ' ' LEU . 80.2 t80 -70.03 -49.13 54.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.966 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.409 ' HA ' ' CB ' ' A' ' 167' ' ' TYR . 4.3 tm-20 -95.12 72.88 3.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 -164.93 -35.33 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.566 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.491 HG21 HD12 ' A' ' 105' ' ' LEU . 3.3 mt -121.76 -63.8 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -179.446 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.797 HD11 ' CD1' ' A' ' 162' ' ' TYR . 3.8 pp -71.03 -47.09 60.6 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -178.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 167' ' ' TYR . . . . . 0.688 ' N ' HD12 ' A' ' 166' ' ' LEU . 2.0 t80 -56.11 -56.06 35.03 Favored Pre-proline 0 C--N 1.329 -0.32 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -179.302 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 168' ' ' PRO . . . . . 0.693 ' HA ' HD12 ' A' ' 171' ' ' LEU . 18.5 Cg_endo -59.57 -25.99 80.61 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.279 1.986 . . . . 0.0 112.607 -179.684 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -57.37 -53.18 61.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.885 0.374 . . . . 0.0 110.877 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.34 -50.25 74.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.01 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 0.693 HD12 ' HA ' ' A' ' 168' ' ' PRO . 2.3 mt -59.88 -35.21 74.35 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.108 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -57.25 -40.89 78.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.056 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -84.98 -39.68 17.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.037 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 8.6 m -98.04 30.76 2.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.03 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.342 -1.254 . . . . 0.0 112.47 -179.916 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.19 0 N-CA-C 112.519 -0.233 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.87 172.51 13.59 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.572 2.181 . . . . 0.0 112.247 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.9 mt 60.29 104.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -98.92 -11.13 47.42 Favored Glycine 0 CA--C 1.519 0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.832 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.96 23.24 6.57 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.713 0.257 . . . . 0.0 111.163 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 45.6 mtm180 -75.03 -50.97 14.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.904 0.383 . . . . 0.0 110.797 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 31.5 m -65.65 -38.59 82.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.153 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.87 -42.9 89.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 15.5 mt -61.66 -44.82 96.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.87 -42.08 83.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.005 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -58.98 -42.65 90.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.536 HD11 HD12 ' A' ' 117' ' ' LEU . 4.0 mm? -64.95 -32.89 74.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.68 -40.91 96.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -61.03 -43.6 98.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.555 HD13 HD12 ' A' ' 166' ' ' LEU . 0.3 OUTLIER -68.08 -41.28 82.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.408 ' CB ' ' HB3' ' A' ' 105' ' ' LEU . . . -68.09 -36.09 79.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.246 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 16.0 mmtm -75.04 -37.49 61.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.041 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -66.16 -48.98 68.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.103 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 43.9 m95 -64.91 -34.43 78.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.988 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.75 -45.08 78.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.889 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.2 mt -61.25 -27.95 68.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.647 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -79.61 -39.59 31.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.67 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 134.63 -6.64 4.53 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.844 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.4 m -92.35 -169.65 2.29 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.932 0.396 . . . . 0.0 110.927 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.5 t -150.87 117.02 5.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.986 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.584 ' C ' HD13 ' A' ' 105' ' ' LEU . 2.5 tm? -65.78 114.95 5.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.02 110.07 12.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 6.6 pt -73.93 110.85 10.18 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.084 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.41 149.28 68.93 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.46 2.107 . . . . 0.0 112.272 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.9 t -97.46 116.4 39.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.092 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 20.2 t -117.67 136.33 55.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.192 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 59.87 35.19 21.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 59.82 29.8 19.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.824 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.57 165.4 33.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 27.7 mt -74.95 138.47 20.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.21 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 8.1 tt -91.63 117.54 29.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.958 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.601 ' HB2' HD21 ' A' ' 146' ' ' LEU . 6.6 t0 -65.48 136.76 56.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.571 ' HB3' HD13 ' A' ' 166' ' ' LEU . 34.9 mt -109.24 -46.6 3.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.968 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -59.76 -51.19 70.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.083 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -59.9 -47.11 87.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.337 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.835 ' O ' HG23 ' A' ' 124' ' ' VAL . 40.6 tp -58.5 -34.61 71.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 37.7 t -63.67 -44.64 93.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.112 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -68.05 -40.86 82.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.142 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.997 HG21 HG13 ' A' ' 142' ' ' VAL . 13.8 mt -58.8 -44.97 91.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.447 -179.654 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.835 HG23 ' O ' ' A' ' 120' ' ' LEU . 21.7 t -60.37 -50.36 80.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.314 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.71 -47.05 87.01 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.44 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.2 p -56.89 -25.31 56.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.323 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -82.73 -25.93 32.42 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 157.91 -25.55 0.43 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.522 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.65 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 140.71 -60.22 0.56 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.497 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.432 ' CZ ' ' HD3' ' A' ' 159' ' ' LYS . 16.6 t80 -176.8 -58.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.891 0.377 . . . . 0.0 111.037 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -59.52 -41.63 90.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.06 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.4 ttm -60.92 -36.35 79.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.999 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.641 HG13 ' HB2' ' A' ' 138' ' ' LYS . 21.5 t -67.06 -44.76 87.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.202 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.7 m -70.04 -34.03 72.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 3.3 mmmt -61.75 -37.02 82.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.081 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -104.32 4.29 33.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.473 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 5.6 tptm 57.0 31.79 20.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.784 0.326 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.641 ' HB2' HG13 ' A' ' 133' ' ' VAL . 3.4 mtmt -69.28 -12.39 61.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.397 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.434 ' CD1' HG12 ' A' ' 133' ' ' VAL . 96.1 m95 -53.16 -34.42 56.78 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.74 0.305 . . . . 0.0 111.099 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 58.3 m -65.21 -37.51 87.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 10.9 mtmm -70.17 -32.51 70.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.813 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.997 HG13 HG21 ' A' ' 123' ' ' ILE . 21.7 t -59.46 -46.73 92.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.13 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -63.57 -40.92 99.2 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.494 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 4.6 m -59.92 -35.89 75.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.777 0.322 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 14.3 mtt180 -71.29 -33.98 70.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.866 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.601 HD21 ' HB2' ' A' ' 116' ' ' ASP . 0.2 OUTLIER -74.84 -67.47 0.64 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 171.01 40.09 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.42 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -112.98 159.74 18.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.784 0.326 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 18.5 mt -111.96 151.63 43.68 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.934 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.35 89.86 0.58 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.526 2.151 . . . . 0.0 112.241 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -103.27 -148.9 20.51 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.452 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 46.7 mmtt -90.4 -45.08 9.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.801 0.334 . . . . 0.0 110.86 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -141.44 100.12 0.26 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.546 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 4.3 m -137.88 -49.44 0.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.856 0.36 . . . . 0.0 110.925 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 155' ' ' GLY . . . . . 0.671 ' HA2' HD12 ' A' ' 158' ' ' LEU . . . -59.27 -33.93 77.81 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.5 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 1.5 m -65.62 -40.21 92.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.812 0.339 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 2.2 mp -68.47 -39.3 81.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.934 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.671 HD12 ' HA2' ' A' ' 155' ' ' GLY . 24.4 mt -59.99 -39.5 85.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.923 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 159' ' ' LYS . . . . . 0.432 ' HD3' ' CZ ' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -70.16 -40.85 74.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 47.9 m -66.93 -46.03 76.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -67.8 -44.64 76.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 162' ' ' TYR . . . . . 0.639 ' CE1' HD23 ' A' ' 166' ' ' LEU . 73.1 t80 -59.86 -43.63 94.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -99.77 73.83 1.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -167.97 -39.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.335 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.501 ' O ' HD21 ' A' ' 94' ' ' LEU . 1.5 mt -126.07 -38.06 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.696 -179.648 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.639 HD23 ' CE1' ' A' ' 162' ' ' TYR . 11.7 tp -85.92 -59.94 2.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.83 0.348 . . . . 0.0 111.504 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 167' ' ' TYR . . . . . 0.473 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 1.7 t80 -47.57 -46.91 60.6 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.871 -179.548 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 168' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 167' ' ' TYR . 52.2 Cg_exo -54.6 -31.5 70.5 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.231 1.954 . . . . 0.0 112.488 -179.688 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 169' ' ' TYR . . . . . 0.433 ' HB2' HD11 ' A' ' 94' ' ' LEU . 21.2 t80 -57.01 -53.17 61.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.084 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.99 -50.33 73.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.63 -33.96 74.85 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.036 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -58.04 -36.27 72.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.083 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -85.11 -43.74 13.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.027 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 6.2 m -97.1 30.85 2.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.447 -1.196 . . . . 0.0 112.45 179.997 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.082 0 N-CA-C 112.565 -0.214 . . . . 0.0 112.565 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.31 102.45 1.26 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.55 2.167 . . . . 0.0 112.19 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 18.2 mt -116.07 105.76 12.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -160.96 -93.59 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.512 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.1 p -102.71 36.5 2.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.827 0.346 . . . . 0.0 110.972 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -66.24 -51.18 60.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 28.6 m -63.12 -37.77 80.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.21 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.418 ' O ' HD12 ' A' ' 91' ' ' LEU . 9.7 ttt180 -66.65 -48.46 69.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.74 -42.2 92.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.769 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.96 -38.66 76.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.02 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.42 ' CD2' ' CD2' ' A' ' 118' ' ' TYR . 47.9 t80 -60.52 -41.99 95.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.941 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.59 HD23 HD21 ' A' ' 105' ' ' LEU . 0.8 OUTLIER -65.66 -33.12 75.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.803 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -60.96 -43.66 98.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.87 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -68.35 -47.36 67.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.789 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.855 HD22 HD12 ' A' ' 105' ' ' LEU . 5.3 tt -62.56 -38.95 92.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.939 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.65 -46.08 66.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.43 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.98 -35.42 72.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.207 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.455 ' O ' ' NE2' ' A' ' 101' ' ' GLN . 14.7 t80 -67.04 -49.05 66.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.154 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 36.3 m95 -66.05 -36.23 82.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.809 0.338 . . . . 0.0 111.001 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.65 -40.55 72.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.976 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.7 mt -59.04 -30.72 68.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.636 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 97' ' ' PHE . 1.2 mp0 -76.0 -44.39 39.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.693 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 146.02 -15.39 1.73 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.719 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.78 -161.77 0.89 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.691 0.281 . . . . 0.0 110.794 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.69 141.14 17.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.853 0.359 . . . . 0.0 110.788 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.855 HD12 HD22 ' A' ' 94' ' ' LEU . 0.9 OUTLIER -62.91 124.16 20.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.653 179.91 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.12 132.48 48.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.898 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.549 HD11 HD21 ' A' ' 105' ' ' LEU . 1.3 mp -114.08 81.75 6.5 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.212 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.67 149.2 32.99 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.446 2.097 . . . . 0.0 112.311 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 t -96.4 119.11 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.101 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 20.6 t -106.92 125.21 62.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.193 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 60.0 38.14 20.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.804 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 2.8 mtt85 60.15 31.58 20.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 18.1 mmtt -147.56 143.95 28.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 23.3 mt -78.34 123.12 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.042 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.4 HD13 ' OH ' ' A' ' 148' ' ' TYR . 45.9 tp -81.89 136.21 35.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.821 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -66.55 158.2 30.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.643 ' CA ' HD11 ' A' ' 166' ' ' LEU . 25.7 mt -114.38 -66.23 1.11 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.969 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.42 ' CD2' ' CD2' ' A' ' 90' ' ' PHE . 1.1 t80 -56.1 -51.01 69.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -58.39 -37.25 74.91 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.158 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.734 ' HA ' HD12 ' A' ' 123' ' ' ILE . 32.3 tp -65.06 -48.97 71.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.887 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 29.4 t -59.09 -34.99 72.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.966 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -66.84 -45.54 77.9 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.045 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.734 HD12 ' HA ' ' A' ' 120' ' ' LEU . 7.8 mt -58.81 -39.23 76.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.183 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.702 HG21 ' CE2' ' A' ' 162' ' ' TYR . 30.6 t -60.24 -50.2 81.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.143 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -56.9 -44.82 82.74 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.267 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 52.2 p -56.84 -21.9 32.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.445 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.822 ' HB2' HG22 ' A' ' 133' ' ' VAL . 24.1 mmtt -86.23 -31.43 21.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.856 0.36 . . . . 0.0 110.697 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 143.88 40.57 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.63 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.564 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 86.51 -66.98 3.54 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.761 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.409 ' CZ ' ' HD3' ' A' ' 159' ' ' LYS . 8.0 t80 -176.27 -53.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.718 0.294 . . . . 0.0 111.056 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -56.79 -42.38 79.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.178 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 10.6 mmt -60.96 -33.71 73.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.822 HG22 ' HB2' ' A' ' 127' ' ' LYS . 21.1 t -61.4 -47.7 92.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.084 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 7.2 m -68.42 -45.2 73.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.797 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.72 -31.94 72.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -93.65 -17.26 23.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.175 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp 67.88 36.51 3.43 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.824 0.345 . . . . 0.0 110.816 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.538 ' O ' HG23 ' A' ' 142' ' ' VAL . 13.6 mmtm -87.95 -1.75 58.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.392 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.489 ' CD1' HG12 ' A' ' 133' ' ' VAL . 71.0 m95 -59.12 -38.0 78.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.848 0.356 . . . . 0.0 110.838 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.7 m -63.98 -36.84 85.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 27.2 mttm -68.27 -32.34 72.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.941 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.575 HG13 HG21 ' A' ' 123' ' ' ILE . 21.6 t -65.75 -42.42 92.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -68.91 -41.87 80.61 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.573 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 13.9 m -60.32 -36.48 78.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.894 0.378 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.55 -31.63 71.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.849 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 146' ' ' LEU . 1.7 mm? -67.07 -60.74 2.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.777 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 154.93 56.42 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.519 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' TYR . . . . . 0.686 ' CZ ' HD21 ' A' ' 158' ' ' LEU . 4.9 m-85 -109.23 118.89 37.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.849 0.357 . . . . 0.0 110.865 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 20.6 mt -63.7 130.29 94.29 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.831 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.16 162.02 3.17 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.491 2.127 . . . . 0.0 112.252 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 140.87 -92.58 0.18 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.504 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.88 171.86 8.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.79 0.328 . . . . 0.0 110.977 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -81.2 126.8 7.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.514 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' THR . . . . . 0.705 HG23 HD12 ' A' ' 157' ' ' LEU . 0.9 OUTLIER -129.57 12.61 5.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.682 0.277 . . . . 0.0 111.314 179.906 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 155' ' ' GLY . . . . . 0.696 ' HA2' HD12 ' A' ' 158' ' ' LEU . . . -74.99 -42.03 30.9 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.49 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 43.6 m -65.16 -31.76 73.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.79 0.328 . . . . 0.0 110.939 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.705 HD12 HG23 ' A' ' 154' ' ' THR . 75.3 mt -67.11 -43.46 82.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.696 HD12 ' HA2' ' A' ' 155' ' ' GLY . 5.0 mt -59.23 -43.38 92.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.962 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 159' ' ' LYS . . . . . 0.409 ' HD3' ' CZ ' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -60.15 -36.11 76.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 3.1 m -66.96 -45.33 78.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.007 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -66.82 -47.9 70.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 162' ' ' TYR . . . . . 0.702 ' CE2' HG21 ' A' ' 124' ' ' VAL . 20.6 t80 -59.43 -49.01 79.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.812 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -89.79 68.65 7.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.709 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -163.63 -40.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.035 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.633 HG22 HD21 ' A' ' 94' ' ' LEU . 2.7 mp -135.29 -43.04 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.47 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.643 HD11 ' CA ' ' A' ' 117' ' ' LEU . 0.6 OUTLIER -71.37 -60.59 2.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.348 -179.599 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 167' ' ' TYR . . . . . 0.534 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 1.9 t80 -56.56 -56.16 35.13 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.745 -179.579 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 168' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 10.8 Cg_endo -55.01 -29.52 65.28 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.254 1.969 . . . . 0.0 112.546 -179.6 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 169' ' ' TYR . . . . . 0.853 ' CD2' HD12 ' A' ' 94' ' ' LEU . 19.3 t80 -58.82 -53.05 62.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.912 0.387 . . . . 0.0 110.813 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.49 -50.32 74.17 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 168' ' ' PRO . 5.9 mt -58.37 -36.87 74.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.011 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -57.98 -34.98 70.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -77.59 -44.0 29.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.971 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 44.4 m -100.5 30.43 3.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.971 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.361 -1.244 . . . . 0.0 112.448 -179.873 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.235 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.96 104.74 1.56 Allowed 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.541 2.161 . . . . 0.0 112.261 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.2 mp -65.69 -62.84 1.29 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.956 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 103.08 30.13 5.52 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.9 m 60.29 34.76 20.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.729 0.299 . . . . 0.0 110.843 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 38.5 mtm180 -73.73 -39.79 64.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.793 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 28.5 m -66.54 -38.35 81.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.234 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -65.97 -40.83 91.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.547 HD13 ' O ' ' A' ' 88' ' ' LEU . 0.3 OUTLIER -67.0 -46.21 75.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.892 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -58.84 -43.14 90.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -61.58 -48.14 82.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.08 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.475 HD22 HD21 ' A' ' 105' ' ' LEU . 23.0 mt -59.98 -32.95 71.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.951 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.08 -46.39 89.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -64.31 -47.95 77.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.978 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.899 HD22 HD12 ' A' ' 105' ' ' LEU . 1.0 OUTLIER -67.97 -40.16 83.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.995 -179.859 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.82 -36.58 75.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.224 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -75.07 -39.06 61.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.063 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -62.11 -49.11 77.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.139 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.549 ' HD1' HD23 ' A' ' 94' ' ' LEU . 44.5 m95 -65.94 -35.42 80.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.951 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -55.91 -44.97 78.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.13 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 82.8 mt -60.9 -30.64 70.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.728 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -72.4 -41.59 66.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.799 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 141.63 -12.4 2.69 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.781 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.4 m -98.83 -163.34 1.03 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.725 0.262 . . . . 0.0 111.035 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.3 m -156.37 130.37 8.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.892 0.377 . . . . 0.0 110.894 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.899 HD12 HD22 ' A' ' 94' ' ' LEU . 5.0 tt -62.96 123.95 19.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.835 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -124.39 132.1 53.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.975 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.1 mp -101.77 92.25 2.78 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.108 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.18 169.62 14.88 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.534 2.156 . . . . 0.0 112.275 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.5 t -110.96 121.5 63.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.185 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.3 t -106.87 120.93 58.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 60.93 36.97 18.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.821 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.98 30.52 18.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.841 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 19.0 tttm -145.25 151.12 37.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.961 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 26.1 mt -74.83 125.19 34.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.33 125.83 32.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.019 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -59.67 156.23 14.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.795 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.563 ' HB3' HD11 ' A' ' 166' ' ' LEU . 1.0 OUTLIER -118.31 -66.1 1.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.037 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -55.9 -51.2 68.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.47 -38.0 82.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.199 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.78 ' HA ' HD12 ' A' ' 123' ' ' ILE . 26.4 tp -62.53 -37.11 84.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.067 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 9.4 t -66.72 -38.79 87.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.072 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -67.63 -41.58 83.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.921 HG21 HG13 ' A' ' 142' ' ' VAL . 12.7 mt -58.84 -43.49 88.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.37 -179.643 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 120' ' ' LEU . 17.4 t -58.91 -50.04 80.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.713 0.292 . . . . 0.0 111.073 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.06 -46.91 82.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.406 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 38.2 p -56.79 -21.05 25.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.574 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.641 ' CB ' HG22 ' A' ' 133' ' ' VAL . 40.2 mmtt -88.43 -40.62 13.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.926 0.393 . . . . 0.0 110.853 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 155.55 42.72 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.504 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.655 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 82.88 -65.75 4.07 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.597 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -179.61 -57.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.823 0.344 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -56.93 -31.18 64.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.999 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 37.9 tpp -66.26 -36.82 83.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.641 HG22 ' CB ' ' A' ' 127' ' ' LYS . 18.7 t -66.97 -41.8 87.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.159 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 5.3 m -69.73 -44.44 70.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.993 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 13.5 mmtp -61.64 -37.79 85.32 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.04 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -92.8 -12.87 30.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.291 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 5.4 tttt 65.65 36.28 6.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.76 0.314 . . . . 0.0 110.802 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -81.88 -1.18 46.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.421 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.447 ' CE2' ' HG2' ' A' ' 159' ' ' LYS . 88.3 m95 -58.54 -34.88 71.5 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.845 0.355 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 68.9 m -60.62 -35.63 76.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -72.08 -33.91 68.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.921 HG13 HG21 ' A' ' 123' ' ' ILE . 21.7 t -59.6 -47.16 92.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -64.09 -39.12 96.89 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.449 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 37.4 m -59.42 -40.5 86.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.876 0.369 . . . . 0.0 110.996 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 30.3 mtt85 -62.71 -31.14 72.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 7.8 mt -79.53 -55.67 4.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.967 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 157.2 50.73 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.476 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' TYR . . . . . 0.671 ' CZ ' HD21 ' A' ' 158' ' ' LEU . 4.9 m-85 -112.4 146.02 39.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.747 0.308 . . . . 0.0 110.968 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 8.5 mt -109.07 137.78 20.23 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.87 115.72 2.53 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.552 2.168 . . . . 0.0 112.318 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -135.86 -126.26 2.56 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.457 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -80.28 -28.87 38.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.811 0.339 . . . . 0.0 110.936 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 169.71 -87.59 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.583 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 154' ' ' THR . . . . . 0.412 ' HA ' HD13 ' A' ' 157' ' ' LEU . 10.0 m 72.48 4.62 5.05 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 111.574 0.212 . . . . 0.0 111.574 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -75.26 -42.08 29.39 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.514 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 18.1 m -63.88 -35.85 81.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.704 0.288 . . . . 0.0 110.934 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' A' ' 154' ' ' THR . 3.6 mp -63.95 -46.01 86.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.914 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.671 HD21 ' CZ ' ' A' ' 148' ' ' TYR . 79.7 mt -67.36 -40.67 85.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.957 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 159' ' ' LYS . . . . . 0.447 ' HG2' ' CE2' ' A' ' 139' ' ' TRP . 0.0 OUTLIER -70.38 -43.79 69.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 41.8 m -66.96 -42.25 85.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.056 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -63.89 -37.26 86.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.219 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 162' ' ' TYR . . . . . 0.518 ' CZ ' HG21 ' A' ' 124' ' ' VAL . 80.1 t80 -73.06 -41.33 64.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -99.12 73.15 1.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.018 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 1.2 ttt85 -167.81 -40.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.188 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.711 ' O ' HD21 ' A' ' 94' ' ' LEU . 1.5 mp -126.58 -36.72 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.68 -179.682 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.68 ' HA ' HD11 ' A' ' 94' ' ' LEU . 0.5 OUTLIER -87.33 -62.02 1.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.348 . . . . 0.0 111.54 -179.404 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 167' ' ' TYR . . . . . 0.552 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 2.0 t80 -50.16 -55.04 27.59 Favored Pre-proline 0 C--N 1.329 -0.298 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -179.367 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 168' ' ' PRO . . . . . 0.552 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 10.4 Cg_endo -54.67 -25.96 44.33 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.308 2.005 . . . . 0.0 112.75 -179.466 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 169' ' ' TYR . . . . . 0.431 ' CG ' ' HG ' ' A' ' 94' ' ' LEU . 25.4 t80 -60.13 -53.22 60.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.876 0.37 . . . . 0.0 110.805 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -58.58 -50.15 74.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.966 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 17.3 mt -57.81 -34.48 69.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.995 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -59.1 -38.43 79.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -84.79 -42.71 14.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.018 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 12.8 m -97.9 31.2 2.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.032 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.087 0 CA-C-O 118.324 -1.265 . . . . 0.0 112.428 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.202 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.13 -28.2 19.17 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.564 2.176 . . . . 0.0 112.329 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.0 mt -103.14 105.94 16.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 170.34 -105.97 0.23 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.56 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -99.03 77.67 2.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.895 0.379 . . . . 0.0 110.824 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -68.75 -39.55 80.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 14.0 m -59.19 -35.79 59.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.181 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.6 mtt180 -67.08 -49.77 63.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.4 mp -65.43 -43.71 89.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.8 -43.12 85.44 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -60.28 -50.08 75.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.932 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.442 ' CD2' HD12 ' A' ' 117' ' ' LEU . 5.8 mt -60.46 -32.81 71.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.83 -47.12 87.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.992 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -64.47 -36.37 83.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.96 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.696 HD12 ' CD2' ' A' ' 169' ' ' TYR . 2.7 tp -62.71 -51.1 68.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.086 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.2 -44.74 68.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.476 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.539 ' O ' HD12 ' A' ' 100' ' ' LEU . 3.6 mtpt -65.07 -45.05 86.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.31 -179.587 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.459 ' O ' ' NE2' ' A' ' 101' ' ' GLN . 58.0 t80 -59.26 -49.09 79.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.147 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.461 ' HA ' ' NE2' ' A' ' 101' ' ' GLN . 38.1 m95 -66.04 -32.94 74.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.934 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -55.76 -37.93 69.17 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.083 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.539 HD12 ' O ' ' A' ' 96' ' ' LYS . 0.8 OUTLIER -58.97 -36.95 75.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.461 ' NE2' ' HA ' ' A' ' 98' ' ' TRP . 1.7 mp0 -68.95 -43.03 75.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.867 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 112.02 23.5 5.52 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.53 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.7 -28.29 14.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.788 0.328 . . . . 0.0 110.956 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 7.8 m 65.3 99.73 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.849 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.444 HD12 ' CD1' ' A' ' 98' ' ' TRP . 0.3 OUTLIER -68.0 122.75 18.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.064 -179.892 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -128.03 109.87 11.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.704 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 2.6 mp -57.94 108.79 1.4 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.318 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -71.98 142.21 38.17 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.363 2.042 . . . . 0.0 112.349 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 t -93.67 128.94 44.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.98 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.702 HG21 HD12 ' A' ' 115' ' ' LEU . 20.3 t -129.1 127.97 66.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.13 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 59.58 35.57 22.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 25.0 mtt180 61.27 31.09 19.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.65 153.91 38.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.883 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 31.0 mm -71.66 133.99 30.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.064 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.702 HD12 HG21 ' A' ' 110' ' ' VAL . 6.7 tt -88.56 108.56 19.48 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.62 ' O ' HD23 ' A' ' 115' ' ' LEU . 6.3 t70 -59.67 145.77 43.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.857 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.526 HD13 HD22 ' A' ' 94' ' ' LEU . 90.3 mt -106.66 -57.18 2.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.928 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -54.88 -51.19 66.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.991 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -58.34 -46.82 85.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.39 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.585 ' O ' HG23 ' A' ' 124' ' ' VAL . 58.4 tp -64.45 -41.95 96.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.177 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.0 t -58.02 -37.73 74.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.136 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 15.5 mtpt -68.04 -43.46 78.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.16 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 54.3 mt -58.79 -43.64 88.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.491 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.955 HG21 ' CE2' ' A' ' 162' ' ' TYR . 21.4 t -58.19 -50.16 79.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.297 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.32 -47.09 86.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 19.3 p -57.79 -20.97 39.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.476 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.663 ' CB ' HG22 ' A' ' 133' ' ' VAL . 6.4 mttp -87.2 -33.48 19.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.99 0.424 . . . . 0.0 110.882 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 146.27 41.83 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.528 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.718 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 84.55 -66.03 3.96 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.744 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.446 ' CZ ' ' HD3' ' A' ' 159' ' ' LYS . 10.3 t80 -177.48 -55.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.868 0.366 . . . . 0.0 111.042 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -56.78 -31.38 64.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.097 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.9 mtp -64.35 -38.24 90.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.692 HG13 ' HB2' ' A' ' 138' ' ' LYS . 22.0 t -66.97 -43.52 89.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.88 -42.22 73.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.984 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -61.79 -30.67 70.96 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.05 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -103.75 -3.84 24.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.405 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 8.2 tttp 61.57 36.1 17.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.853 0.359 . . . . 0.0 110.755 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.692 ' HB2' HG13 ' A' ' 133' ' ' VAL . 15.2 mmtt -76.48 -9.86 58.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.434 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 86.5 m95 -53.98 -35.99 62.43 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.893 0.378 . . . . 0.0 111.003 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 19.6 m -66.94 -33.06 74.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.741 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.97 -32.36 67.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 22.9 t -61.91 -46.9 95.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.104 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -61.96 -43.64 98.9 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.58 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 58.5 m -58.94 -39.79 82.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.817 0.342 . . . . 0.0 110.962 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -72.0 -34.09 68.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.019 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.833 HD22 ' CE2' ' A' ' 148' ' ' TYR . 0.2 OUTLIER -69.15 -29.36 67.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.973 -179.89 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 114.36 20.47 5.87 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.733 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' TYR . . . . . 0.833 ' CE2' HD22 ' A' ' 146' ' ' LEU . 69.9 m-85 -78.39 123.13 26.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.72 0.295 . . . . 0.0 110.802 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 54.8 mt -56.67 148.84 44.55 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.018 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -69.1 136.54 35.02 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.573 2.182 . . . . 0.0 112.339 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 172.43 -169.71 42.81 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.432 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -74.39 155.41 38.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.747 0.308 . . . . 0.0 110.938 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 61.82 -122.41 28.72 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.465 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 24.9 m 67.42 -70.06 0.12 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.646 0.26 . . . . 0.0 110.957 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' GLY . . . . . 0.537 ' HA2' HD12 ' A' ' 158' ' ' LEU . . . -63.51 -36.03 92.82 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.502 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 12.2 m -67.37 -40.34 85.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.786 0.327 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 8.1 mp -70.45 -36.8 74.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.537 HD12 ' HA2' ' A' ' 155' ' ' GLY . 11.4 mt -62.77 -38.01 88.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.81 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 159' ' ' LYS . . . . . 0.446 ' HD3' ' CZ ' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -67.71 -41.77 83.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 16.5 m -67.05 -45.89 76.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 -64.08 -47.65 79.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.831 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 162' ' ' TYR . . . . . 0.955 ' CE2' HG21 ' A' ' 124' ' ' VAL . 14.6 t80 -59.28 -41.77 89.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -94.31 43.85 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.815 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.1 -42.75 1.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 1.8 mp -134.13 -44.54 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.268 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.572 HD13 ' CD1' ' A' ' 162' ' ' TYR . 1.8 tt -63.13 -65.36 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.51 -179.49 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 167' ' ' TYR . . . . . 0.556 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 3.6 t80 -55.08 -55.05 43.42 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.886 -179.403 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 168' ' ' PRO . . . . . 0.562 ' HA ' HD12 ' A' ' 171' ' ' LEU . 10.5 Cg_endo -54.87 -25.74 44.97 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.334 2.023 . . . . 0.0 112.635 -179.355 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 169' ' ' TYR . . . . . 0.696 ' CD2' HD12 ' A' ' 94' ' ' LEU . 49.0 t80 -56.86 -53.14 61.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.895 0.378 . . . . 0.0 110.83 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -56.86 -50.14 73.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.974 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 0.562 HD12 ' HA ' ' A' ' 168' ' ' PRO . 13.4 mt -55.96 -38.63 70.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.112 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -58.71 -37.64 76.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.959 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -85.14 -42.67 14.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.982 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 58.4 m -97.72 31.02 2.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.06 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.372 -1.238 . . . . 0.0 112.541 179.883 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.208 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.3 -20.64 32.03 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.687 2.258 . . . . 0.0 112.418 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.0 mt -104.89 47.57 0.87 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.95 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -130.97 57.62 0.72 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.513 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 84.3 p -138.66 21.72 2.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.715 0.293 . . . . 0.0 111.063 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.99 -51.03 14.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.906 0.384 . . . . 0.0 110.841 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 30.5 m -66.87 -39.56 83.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.6 -44.08 97.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.963 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.82 -43.64 92.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -57.94 -42.99 86.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.086 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -63.03 -43.08 99.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.8 tp -60.14 -32.85 71.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.75 -45.6 81.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.026 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -71.41 -33.25 69.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.908 HD12 ' CD2' ' A' ' 169' ' ' TYR . 11.6 tp -66.91 -51.07 59.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.527 ' HB2' HD22 ' A' ' 105' ' ' LEU . . . -69.96 -37.01 75.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.324 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp -67.08 -40.99 87.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.446 ' O ' ' NE2' ' A' ' 101' ' ' GLN . 51.8 t80 -64.65 -49.14 72.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.147 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 64.0 m95 -65.81 -34.2 77.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.103 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -56.03 -42.38 76.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.057 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 38.3 mt -59.24 -39.0 81.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.825 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.446 ' NE2' ' O ' ' A' ' 97' ' ' PHE . 1.0 OUTLIER -60.14 -44.81 94.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.808 179.845 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 114.88 23.19 4.72 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.334 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.521 ' C ' HG23 ' A' ' 104' ' ' THR . 0.1 OUTLIER -107.79 -21.1 12.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.668 0.27 . . . . 0.0 111.019 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.521 HG23 ' C ' ' A' ' 103' ' ' SER . 0.1 OUTLIER 60.41 126.71 0.01 OUTLIER 'General case' 0 N--CA 1.456 -0.162 0 CA-C-O 121.0 0.429 . . . . 0.0 111.101 179.687 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.662 HD11 HD23 ' A' ' 94' ' ' LEU . 6.2 tt -83.31 132.79 35.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.999 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.403 ' O ' ' HD3' ' A' ' 108' ' ' PRO . 6.4 mttt -123.81 132.26 53.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.746 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 18.8 mt -96.75 100.22 6.94 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.238 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 106' ' ' LYS . 60.0 Cg_endo -71.92 173.08 13.34 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.533 2.156 . . . . 0.0 112.356 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 t -125.0 111.64 28.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.97 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.694 HG12 ' HG2' ' A' ' 111' ' ' GLU . 21.2 t -106.91 131.16 57.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.195 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.694 ' HG2' HG12 ' A' ' 110' ' ' VAL . 68.7 mm-40 60.72 35.42 19.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.809 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.9 33.11 21.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.808 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -156.12 163.59 39.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.942 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 4.5 mt -73.67 127.03 35.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.531 HD11 ' CD2' ' A' ' 158' ' ' LEU . 0.6 OUTLIER -82.92 131.66 35.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.559 ' HB2' HD21 ' A' ' 146' ' ' LEU . 5.6 t70 -64.24 168.85 5.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.502 HD22 HD23 ' A' ' 166' ' ' LEU . 10.7 mt -141.3 -58.88 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.918 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -58.86 -51.29 70.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.766 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.434 ' HB3' ' OD1' ' A' ' 116' ' ' ASP . . . -63.76 -39.21 93.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.348 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.791 ' O ' HG23 ' A' ' 124' ' ' VAL . 50.6 tp -63.49 -41.62 98.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.104 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.9 t -57.92 -40.43 80.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.032 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -67.97 -43.94 77.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.998 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 1.029 HG21 HG13 ' A' ' 142' ' ' VAL . 12.7 mt -58.85 -42.7 86.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.305 -179.7 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.791 HG23 ' O ' ' A' ' 120' ' ' LEU . 19.9 t -58.67 -50.09 80.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.204 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.61 -44.43 85.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.239 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 20.0 p -56.84 -27.52 60.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.183 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.509 ' HB2' HG22 ' A' ' 133' ' ' VAL . 24.3 mmtt -82.73 -26.97 31.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.806 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 157.64 -24.85 0.43 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.694 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.608 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 140.98 -57.94 0.58 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.421 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.435 ' CZ ' ' HD3' ' A' ' 159' ' ' LYS . 51.6 t80 -178.51 -56.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.895 0.379 . . . . 0.0 110.892 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -65.26 -39.94 93.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 9.8 tpt -60.94 -33.45 73.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.63 HG12 ' CD1' ' A' ' 139' ' ' TRP . 13.7 t -67.0 -39.86 84.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.09 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.605 HG23 ' HE3' ' A' ' 159' ' ' LYS . 0.6 OUTLIER -67.12 -46.07 75.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.953 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -61.87 -37.97 86.55 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.0 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -85.94 -21.52 27.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.101 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 8.5 tttp 65.49 37.65 5.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.839 0.352 . . . . 0.0 110.85 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.544 ' O ' HG23 ' A' ' 142' ' ' VAL . 22.5 mtpp -89.88 9.66 26.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.322 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.63 ' CD1' HG12 ' A' ' 133' ' ' VAL . 89.8 m95 -65.69 -35.25 80.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.803 0.335 . . . . 0.0 110.741 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.1 m -63.05 -34.22 77.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.774 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.85 -37.31 70.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.73 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 1.029 HG13 HG21 ' A' ' 123' ' ' ILE . 24.5 t -59.85 -44.04 93.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.126 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -64.29 -41.86 98.05 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 9.6 m -60.13 -35.96 76.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.774 0.321 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 20.7 mtt85 -64.44 -32.38 73.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.559 HD21 ' HB2' ' A' ' 116' ' ' ASP . 0.1 OUTLIER -75.53 -70.65 0.41 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 163.02 42.2 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.564 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -105.85 125.12 50.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.85 0.357 . . . . 0.0 110.826 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.5 mp -69.53 142.39 91.73 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.09 168.41 0.54 Allowed 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.513 2.142 . . . . 0.0 112.223 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 158.7 -162.96 32.86 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.515 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -100.8 127.03 47.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.836 0.35 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 68.57 92.31 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.524 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 6.0 m -140.72 -56.38 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.805 0.336 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -59.0 -34.31 78.35 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.483 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 1.2 m -73.14 -31.29 64.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.756 0.312 . . . . 0.0 110.842 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.461 ' N ' HD22 ' A' ' 157' ' ' LEU . 3.8 mm? -69.07 -39.93 78.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.849 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.531 ' CD2' HD11 ' A' ' 115' ' ' LEU . 13.1 mt -67.49 -35.49 79.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 159' ' ' LYS . . . . . 0.605 ' HE3' HG23 ' A' ' 134' ' ' THR . 0.1 OUTLIER -66.19 -42.95 88.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 4.3 m -66.93 -44.26 81.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 -69.47 -44.3 71.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 162' ' ' TYR . . . . . 0.432 ' CE2' HG21 ' A' ' 124' ' ' VAL . 45.8 t80 -58.92 -48.52 81.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -91.11 62.39 4.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.827 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.21 -51.14 0.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.021 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.457 HG22 ' O ' ' A' ' 165' ' ' ILE . 2.1 mp -127.22 -1.21 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.774 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.502 HD23 HD22 ' A' ' 117' ' ' LEU . 0.9 OUTLIER -116.78 -58.91 2.02 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.83 0.348 . . . . 0.0 111.131 -179.848 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 167' ' ' TYR . . . . . 0.464 ' HB3' ' HD3' ' A' ' 168' ' ' PRO . 2.7 t80 -59.82 -48.86 94.05 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.22 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 168' ' ' PRO . . . . . 0.575 ' HA ' HD12 ' A' ' 171' ' ' LEU . 38.7 Cg_exo -60.14 -25.86 81.02 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.353 2.035 . . . . 0.0 112.36 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 169' ' ' TYR . . . . . 0.908 ' CD2' HD12 ' A' ' 94' ' ' LEU . 51.8 t80 -56.56 -53.28 59.45 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 120.785 0.326 . . . . 0.0 110.825 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -56.88 -50.12 73.46 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.03 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 0.575 HD12 ' HA ' ' A' ' 168' ' ' PRO . 2.1 mt -58.15 -33.88 69.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -64.66 -32.95 74.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -67.39 -44.14 79.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 1.9 m 178.56 39.5 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.81 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.376 -1.235 . . . . 0.0 112.528 -179.962 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.179 0 N-CA-C 112.558 -0.217 . . . . 0.0 112.558 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -78.86 1.52 9.06 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.59 2.193 . . . . 0.0 112.895 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.1 mp -107.27 120.25 41.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.822 0.344 . . . . 0.0 110.971 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.438 ' H ' HG22 ' A' ' 86' ' ' VAL . . . 124.76 -77.24 0.38 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.613 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.8 m -77.6 -47.22 19.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.795 0.331 . . . . 0.0 111.135 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -57.93 -46.04 85.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.025 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.438 HG22 ' H ' ' A' ' 83' ' ' GLY . 27.1 m -62.65 -40.42 88.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.096 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.401 ' N ' HG23 ' A' ' 86' ' ' VAL . 3.3 mtp180 -61.61 -50.04 74.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.8 mp -66.57 -42.68 86.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -57.86 -41.77 83.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -58.19 -50.03 74.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.079 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.5 mp -65.14 -33.11 75.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.969 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -63.71 -39.03 93.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -66.85 -47.97 70.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.938 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.449 HD11 ' O ' ' A' ' 165' ' ' ILE . 26.0 tp -57.28 -44.43 84.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.982 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.403 ' HA ' ' CB ' ' A' ' 105' ' ' LEU . . . -70.0 -37.72 75.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.462 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.586 ' O ' HD12 ' A' ' 100' ' ' LEU . 20.6 mtpp -74.91 -33.16 61.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.233 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -65.01 -49.55 69.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.211 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 68.4 m95 -66.43 -32.72 74.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.97 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -55.59 -43.12 75.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.912 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.586 HD12 ' O ' ' A' ' 96' ' ' LYS . 0.4 OUTLIER -66.38 -31.19 71.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.58 179.572 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 57.0 mm-40 -69.78 -37.87 76.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.82 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 118.42 20.09 4.42 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.483 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.2 t -100.28 -154.53 0.48 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.556 0.217 . . . . 0.0 110.689 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.4 t -154.82 94.5 1.67 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.832 0.349 . . . . 0.0 110.642 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.425 HD13 ' N ' ' A' ' 106' ' ' LYS . 0.3 OUTLIER -62.95 113.6 3.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 -179.89 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.425 ' N ' HD13 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -128.23 119.58 25.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.741 179.828 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 32.5 mt -71.02 111.71 10.85 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.185 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -78.97 162.14 26.48 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.415 2.077 . . . . 0.0 112.372 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 t -112.37 118.0 56.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.971 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.5 HG12 ' HG2' ' A' ' 111' ' ' GLU . 21.4 t -107.68 125.71 64.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.301 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.5 ' HG2' HG12 ' A' ' 110' ' ' VAL . 10.6 mm-40 58.55 39.74 24.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.985 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 43.4 mtm-85 59.28 30.3 20.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.6 mmtm -144.66 157.66 44.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.946 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 31.0 mt -77.93 133.37 30.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.101 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.403 HD12 ' CD2' ' A' ' 158' ' ' LEU . 7.2 tt -94.94 128.56 41.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -77.47 153.77 33.19 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.801 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.748 ' HA ' HD11 ' A' ' 166' ' ' LEU . 5.6 mp -108.64 -58.32 2.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.906 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -55.5 -51.15 67.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -58.48 -45.59 88.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.316 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.827 ' HA ' HD12 ' A' ' 123' ' ' ILE . 35.7 tp -63.81 -38.44 91.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.161 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.9 t -59.31 -40.99 88.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.137 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 9.0 mtmp? -67.97 -40.09 83.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.186 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 1.063 HG21 HG13 ' A' ' 142' ' ' VAL . 27.9 mt -58.68 -42.23 84.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.471 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.79 HG21 ' CZ ' ' A' ' 162' ' ' TYR . 19.1 t -59.72 -50.32 80.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.145 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.3 -44.47 94.91 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 83.7 p -56.83 -24.63 52.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.224 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.687 ' CB ' HG22 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -82.84 -23.58 33.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.864 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 149.28 -20.4 1.21 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.571 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.772 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 148.31 -63.77 0.42 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.331 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.401 ' CZ ' ' HG3' ' A' ' 163' ' ' GLU . 55.3 t80 179.36 -60.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.774 0.321 . . . . 0.0 110.762 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.95 -39.04 80.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.965 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -36.98 80.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.909 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.687 HG22 ' CB ' ' A' ' 127' ' ' LYS . 18.9 t -63.82 -41.93 94.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.136 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 6.8 m -69.91 -43.45 71.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -61.76 -36.68 81.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.959 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -89.87 -11.9 40.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.241 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 8.7 mtpt 63.51 31.87 14.57 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.831 0.348 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -79.29 -5.24 53.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.316 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.448 ' CE2' ' HG3' ' A' ' 159' ' ' LYS . 95.1 m95 -56.31 -31.97 64.18 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.725 0.298 . . . . 0.0 110.896 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 37.2 m -61.6 -39.05 89.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.818 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -71.87 -31.35 66.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.816 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 1.063 HG13 HG21 ' A' ' 123' ' ' ILE . 28.4 t -59.64 -45.86 93.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.1 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -68.66 -37.38 84.67 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.579 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 67.9 m -66.05 -36.03 82.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.825 0.345 . . . . 0.0 110.854 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 68.5 mtt180 -64.17 -31.51 72.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 5.7 mt -67.45 -69.21 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 155.55 55.33 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.507 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -104.67 159.32 15.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.816 0.341 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 75.1 mt -78.07 156.87 79.2 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.38 114.39 3.44 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.53 2.153 . . . . 0.0 112.208 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -136.67 -149.72 5.71 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.512 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 19.1 mtpt -105.77 -62.87 1.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.357 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -112.93 133.01 11.05 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.557 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 1.4 m -151.42 -46.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.337 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -58.48 -38.21 90.37 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.532 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 68.0 m -67.91 -31.51 71.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.793 0.33 . . . . 0.0 110.814 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 7.3 mp -70.87 -45.85 63.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.403 ' CD2' HD12 ' A' ' 115' ' ' LEU . 15.0 mt -63.78 -33.65 76.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 159' ' ' LYS . . . . . 0.448 ' HG3' ' CE2' ' A' ' 139' ' ' TRP . 0.1 OUTLIER -62.94 -40.7 98.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 45.3 m -64.49 -45.95 85.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.96 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -67.2 -45.71 76.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.948 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 162' ' ' TYR . . . . . 0.79 ' CZ ' HG21 ' A' ' 124' ' ' VAL . 56.2 t80 -59.31 -47.22 86.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.818 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.401 ' HG3' ' CZ ' ' A' ' 130' ' ' PHE . 0.5 OUTLIER -89.81 53.94 2.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.69 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -151.66 -43.34 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.093 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.449 ' O ' HD11 ' A' ' 94' ' ' LEU . 3.2 mt -127.72 -35.93 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.687 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.748 HD11 ' HA ' ' A' ' 117' ' ' LEU . 0.3 OUTLIER -79.4 -67.56 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.656 -179.431 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 167' ' ' TYR . . . . . 0.457 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 1.7 t80 -46.03 -47.03 43.14 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.294 -0.412 . . . . 0.0 112.05 -179.24 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 168' ' ' PRO . . . . . 0.457 ' CD ' ' N ' ' A' ' 167' ' ' TYR . 51.3 Cg_exo -54.55 -36.99 90.42 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.396 2.064 . . . . 0.0 112.505 -179.532 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -56.86 -53.08 61.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.973 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -58.48 -50.26 74.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.073 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 51.5 mt -60.5 -34.86 74.68 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -58.39 -38.45 77.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.943 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -84.95 -41.98 15.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.058 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 60.1 m -97.99 30.88 2.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.047 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.293 -1.282 . . . . 0.0 112.5 179.961 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.36 94.32 0.67 Allowed 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.601 2.2 . . . . 0.0 112.257 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.1 mt -109.27 77.01 1.03 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.823 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.87 -30.45 75.23 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.13 72.38 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.882 0.372 . . . . 0.0 110.95 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.09 -51.01 14.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.993 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 31.3 m -65.1 -37.91 81.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.272 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.97 -45.41 85.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.965 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.7 mt -59.49 -46.04 89.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.96 -42.89 85.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.063 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -58.5 -44.41 89.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.009 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.554 HD11 ' CD1' ' A' ' 117' ' ' LEU . 3.9 mm? -59.93 -33.12 71.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.03 -41.74 86.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.911 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -67.17 -43.5 82.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.045 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.658 HD21 ' O ' ' A' ' 165' ' ' ILE . 12.8 tp -61.16 -47.14 87.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.116 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.06 -36.67 75.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.377 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -75.03 -44.97 44.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.234 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -61.39 -49.09 78.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.054 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 40.1 m95 -66.0 -32.79 74.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.027 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.63 -40.65 72.46 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.018 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 37.6 mt -62.81 -29.58 70.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.704 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -72.9 -39.38 66.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.941 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 108.08 23.27 6.8 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.592 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.85 -30.02 7.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.698 0.285 . . . . 0.0 110.962 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.7 m 64.3 130.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.845 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.626 HD12 ' HG ' ' A' ' 94' ' ' LEU . 7.3 tt -64.03 134.31 54.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -128.08 109.97 12.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.721 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 2.1 mp -68.43 111.42 8.0 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.166 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.43 145.83 30.46 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.424 2.083 . . . . 0.0 112.382 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 t -112.06 115.25 49.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.004 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.3 t -115.41 133.95 60.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.217 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 59.14 35.4 23.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.009 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? 59.33 30.63 20.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.003 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.71 147.04 29.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 33.3 mm -69.87 130.25 34.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.99 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.733 HD11 HD22 ' A' ' 158' ' ' LEU . 2.4 tt -95.57 127.91 42.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.543 ' N ' HD23 ' A' ' 115' ' ' LEU . 2.7 t70 -59.32 174.25 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.861 ' HA ' HD11 ' A' ' 166' ' ' LEU . 10.1 mt -128.66 -64.33 0.93 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.989 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -55.55 -51.03 68.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.807 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -57.7 -40.49 79.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.195 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.593 ' O ' HG23 ' A' ' 124' ' ' VAL . 0.2 OUTLIER -69.12 -44.48 72.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.982 -179.926 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.9 t -57.93 -35.08 70.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.062 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.4 mtmp? -68.07 -44.96 75.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.951 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.547 HG21 HG13 ' A' ' 142' ' ' VAL . 41.6 mt -58.95 -41.06 82.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.204 -179.597 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.839 HG21 ' CZ ' ' A' ' 162' ' ' TYR . 17.9 t -59.24 -50.23 80.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.154 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.91 -47.02 87.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.204 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 24.9 p -56.95 -22.25 36.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.449 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.595 ' HB2' HG22 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -87.45 -34.99 18.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.832 0.349 . . . . 0.0 110.987 -179.887 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 150.34 43.01 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.554 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.715 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 81.49 -65.62 3.98 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.593 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.497 ' CE2' ' CZ2' ' A' ' 139' ' ' TRP . 54.4 t80 -179.06 -54.02 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.908 0.385 . . . . 0.0 110.884 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -56.8 -37.08 70.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.025 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 8.9 tpp -63.04 -33.95 76.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.595 HG22 ' HB2' ' A' ' 127' ' ' LYS . 27.2 t -66.97 -50.03 68.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.101 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.5 m -66.51 -34.32 77.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.978 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.76 -31.72 71.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.162 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -112.26 8.53 19.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.487 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 14.9 mttm 55.17 32.4 18.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.875 0.369 . . . . 0.0 110.975 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.474 ' O ' HG23 ' A' ' 142' ' ' VAL . 11.8 mttm -68.49 -13.19 62.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.396 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.497 ' CZ2' ' CE2' ' A' ' 130' ' ' PHE . 93.5 m95 -53.81 -36.88 62.97 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.868 0.366 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 67.7 m -61.61 -38.16 86.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 8.6 mtpp -72.03 -31.97 66.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.83 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.547 HG13 HG21 ' A' ' 123' ' ' ILE . 33.4 t -62.73 -49.05 85.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -67.67 -38.26 89.83 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.555 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 14.3 m -60.19 -40.18 89.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.787 0.327 . . . . 0.0 110.934 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.46 -31.25 71.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.5 mt -69.91 -65.26 0.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.793 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 163.89 43.54 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.461 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -108.95 138.07 45.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.738 0.304 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.4 mp -85.23 148.14 49.3 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.4 120.6 7.64 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.614 2.209 . . . . 0.0 112.174 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -178.36 127.72 1.2 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.578 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 9.9 mttp -68.61 131.64 45.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.864 0.364 . . . . 0.0 110.816 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 107.5 30.24 4.16 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.487 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 9.8 m -130.03 -45.48 1.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.771 0.319 . . . . 0.0 110.968 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -57.88 -38.91 90.63 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.589 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 66.1 m -63.11 -31.65 72.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.84 0.353 . . . . 0.0 110.919 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 10.5 mp -71.1 -35.1 71.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.733 HD22 HD11 ' A' ' 115' ' ' LEU . 22.2 mt -69.95 -39.47 76.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.928 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 159' ' ' LYS . . . . . 0.422 ' HE2' ' CZ ' ' A' ' 130' ' ' PHE . 1.3 mtpm? -67.45 -43.9 79.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.791 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 14.1 m -64.57 -46.13 84.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 57.2 m-70 -67.69 -44.27 78.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.95 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 162' ' ' TYR . . . . . 0.839 ' CZ ' HG21 ' A' ' 124' ' ' VAL . 65.8 t80 -59.67 -48.98 79.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -87.66 68.38 9.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.884 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 18.3 mtt-85 -163.22 -44.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.658 ' O ' HD21 ' A' ' 94' ' ' LEU . 2.4 mp -131.46 7.22 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.637 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.861 HD11 ' HA ' ' A' ' 117' ' ' LEU . 3.6 mt -120.47 -70.35 0.79 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.799 0.333 . . . . 0.0 111.117 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 167' ' ' TYR . . . . . 0.478 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 3.1 t80 -53.93 -46.67 98.48 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.513 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 168' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 167' ' ' TYR . 52.4 Cg_exo -54.74 -33.42 80.38 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.304 2.003 . . . . 0.0 112.407 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -56.85 -53.21 60.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.02 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.25 -50.25 74.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.94 0.4 . . . . 0.0 110.949 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 48.4 mt -59.96 -38.49 82.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -57.58 -34.07 68.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.066 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -84.1 -43.93 14.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 13.0 m -98.08 30.98 2.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.948 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.469 -1.184 . . . . 0.0 112.421 -179.964 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.213 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.402 ' HB2' ' HG2' ' A' ' 85' ' ' ARG . 58.6 Cg_endo -71.08 85.42 0.81 Allowed 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.529 2.153 . . . . 0.0 112.282 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.2 mp -142.07 97.67 3.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.841 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.0 -28.44 8.8 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.499 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 39.6 t -126.95 34.05 4.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.792 0.33 . . . . 0.0 110.924 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.402 ' HG2' ' HB2' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -75.01 -51.18 14.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.964 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 13.4 m -67.38 -34.95 72.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.203 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -62.45 -49.94 73.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.972 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.4 -46.12 87.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.005 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -57.8 -37.67 74.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -58.6 -45.45 89.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.817 ' HG ' HD11 ' A' ' 117' ' ' LEU . 4.8 mp -60.01 -33.03 71.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.995 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.12 -45.04 82.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.014 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -61.41 -47.86 83.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.93 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 1.023 HD22 HD13 ' A' ' 105' ' ' LEU . 0.7 OUTLIER -61.49 -44.46 97.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.989 -179.811 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.538 ' HB2' HD23 ' A' ' 105' ' ' LEU . . . -70.13 -45.36 67.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.389 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -69.78 -42.84 73.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.16 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -62.16 -48.96 77.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.157 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.45 ' HD1' HD23 ' A' ' 94' ' ' LEU . 28.7 m95 -64.39 -38.33 90.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.959 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -56.02 -40.16 73.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.047 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 96.4 mt -58.99 -30.8 68.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.747 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -75.85 -45.91 33.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.713 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.63 -15.76 1.24 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.74 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.2 t -93.65 -160.17 0.74 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.729 0.299 . . . . 0.0 110.723 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -159.92 136.93 9.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.875 0.369 . . . . 0.0 110.893 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 1.023 HD13 HD22 ' A' ' 94' ' ' LEU . 18.0 tp -62.99 114.15 3.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.623 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.0 tptt -113.55 132.32 55.76 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.053 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.644 HG23 ' O ' ' A' ' 107' ' ' ILE . 12.9 tt -116.76 80.43 10.81 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.004 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.27 165.81 8.44 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.696 2.264 . . . . 0.0 112.275 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.8 t -110.68 113.81 45.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.897 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 22.0 t -107.21 129.71 60.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.336 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 59.73 37.7 22.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.065 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.07 30.5 19.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.879 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.0 tttm -142.6 145.4 33.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.463 HG22 HD11 ' A' ' 107' ' ' ILE . 4.5 mt -79.23 139.75 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.146 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.432 ' CD1' HD23 ' A' ' 158' ' ' LEU . 1.0 OUTLIER -96.99 129.4 44.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.018 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -83.91 175.09 9.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.817 HD11 ' HG ' ' A' ' 91' ' ' LEU . 0.1 OUTLIER -124.69 -60.22 1.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.084 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -55.61 -51.06 68.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.968 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.03 -44.52 96.54 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.378 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 57.9 tp -61.6 -46.21 90.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.058 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 17.1 t -57.91 -35.0 70.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 14.4 mttp -66.56 -43.61 84.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.087 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.93 HG21 HG13 ' A' ' 142' ' ' VAL . 67.9 mt -58.85 -47.33 89.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.202 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.584 HG12 ' O ' ' A' ' 129' ' ' GLY . 21.7 t -58.91 -50.15 80.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.21 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.51 -47.1 82.88 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.317 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.68 -26.13 55.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.168 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.676 ' HB2' HG22 ' A' ' 133' ' ' VAL . 0.7 OUTLIER -83.36 -27.03 29.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.902 179.878 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 158.1 -25.24 0.41 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.554 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.584 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 137.81 -55.44 0.68 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.434 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -178.49 -61.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.851 0.357 . . . . 0.0 110.904 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -61.51 -39.64 91.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.967 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.97 -35.98 78.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.784 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.676 HG22 ' HB2' ' A' ' 127' ' ' LYS . 20.1 t -67.02 -43.38 89.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.195 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 7.5 m -63.86 -46.06 86.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 3.5 mtmm -61.78 -37.84 85.81 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -86.36 -15.17 41.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.286 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 2.6 mttm 65.13 37.25 6.75 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.883 0.373 . . . . 0.0 110.852 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.692 ' O ' HG23 ' A' ' 142' ' ' VAL . 7.1 mttt -90.78 11.05 23.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.264 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 62.7 m95 -67.09 -37.22 83.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.829 0.347 . . . . 0.0 110.836 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.24 -35.94 81.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -67.59 -35.84 79.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.74 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.93 HG13 HG21 ' A' ' 123' ' ' ILE . 25.3 t -58.92 -47.95 88.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.085 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -68.87 -33.77 75.85 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.533 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 32.2 m -59.45 -36.11 75.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.93 0.395 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -67.63 -31.96 72.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 30.1 mt -72.2 -66.06 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 153.26 56.43 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.422 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' TYR . . . . . 0.47 ' CE2' HD21 ' A' ' 158' ' ' LEU . 57.3 m-85 -111.18 145.15 39.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.81 0.338 . . . . 0.0 110.915 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 12.6 mt -88.92 154.03 49.73 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.948 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.34 150.75 84.41 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.601 2.201 . . . . 0.0 112.268 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 169.26 -165.16 38.66 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.576 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 18.5 mttm -88.81 88.11 7.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.754 0.311 . . . . 0.0 110.946 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' GLY . . . . . 0.404 ' O ' ' HB ' ' A' ' 154' ' ' THR . . . 133.24 -117.23 1.88 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.501 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 154' ' ' THR . . . . . 0.404 ' HB ' ' O ' ' A' ' 153' ' ' GLY . 68.9 m 65.9 -72.91 0.07 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.702 0.287 . . . . 0.0 111.049 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -62.22 -39.29 97.5 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.444 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 10.4 m -68.71 -37.68 79.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.822 0.344 . . . . 0.0 110.83 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 22.6 mt -66.91 -42.69 84.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.47 HD21 ' CE2' ' A' ' 148' ' ' TYR . 6.9 mt -61.31 -38.86 88.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.8 -42.72 99.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.793 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 31.1 m -67.11 -44.37 80.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -63.92 -41.6 97.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.736 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 162' ' ' TYR . . . . . 0.492 ' CE2' ' CD1' ' A' ' 167' ' ' TYR . 37.5 t80 -60.03 -49.06 79.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.794 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -94.25 71.72 3.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.639 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.25 -42.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.406 HG22 HD21 ' A' ' 94' ' ' LEU . 1.7 mp -131.44 -42.62 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.782 0.325 . . . . 0.0 111.727 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.476 HD22 ' HA ' ' A' ' 117' ' ' LEU . 37.0 tp -77.41 -73.35 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.764 -179.27 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 167' ' ' TYR . . . . . 0.568 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 1.4 t80 -43.89 -54.39 11.05 Favored Pre-proline 0 CA--C 1.534 0.34 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -179.264 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 168' ' ' PRO . . . . . 0.755 ' HA ' HD12 ' A' ' 171' ' ' LEU . 10.5 Cg_endo -54.68 -25.67 43.09 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.329 2.02 . . . . 0.0 112.709 -179.578 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -56.79 -53.16 61.08 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.825 0.345 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -57.61 -49.99 74.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 0.755 HD12 ' HA ' ' A' ' 168' ' ' PRO . 4.2 mt -54.95 -37.31 66.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.204 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -58.8 -39.75 82.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -84.7 -42.0 15.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.949 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 21.8 m -98.22 31.1 2.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.009 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.354 -1.248 . . . . 0.0 112.432 179.99 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.151 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -71.91 62.18 3.14 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.596 2.197 . . . . 0.0 112.29 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 31.6 mt -119.72 117.23 27.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -134.07 -44.96 0.11 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.508 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.2 m -130.67 116.3 17.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.799 0.333 . . . . 0.0 110.846 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -71.92 -40.73 68.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 9.6 m -67.96 -35.1 70.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.156 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 50.0 ttt-85 -66.97 -45.04 78.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.9 mp -64.51 -40.12 95.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.828 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -57.73 -43.17 85.11 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.07 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -58.73 -47.89 83.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.33 -33.02 71.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.11 -46.94 84.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.058 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -63.31 -44.96 93.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.436 HD13 ' CG ' ' A' ' 169' ' ' TYR . 50.2 tp -62.68 -48.12 80.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.959 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.11 -43.09 71.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.28 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.425 ' O ' HD12 ' A' ' 100' ' ' LEU . 3.0 mttp -64.86 -44.88 88.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.208 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -58.7 -49.17 78.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.164 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 39.2 m95 -65.94 -34.29 77.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.957 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.83 -44.2 77.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.083 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.425 HD12 ' O ' ' A' ' 96' ' ' LYS . 3.4 mp -59.36 -31.99 69.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.95 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -69.41 -41.15 76.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 109.85 24.18 5.89 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.524 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.2 m -99.17 -29.48 12.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.774 0.321 . . . . 0.0 110.968 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 10.3 m 66.16 100.41 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.848 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.22 126.87 30.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.068 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 34.0 mtpt -127.88 109.99 12.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.707 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 36.5 mm -62.35 110.72 3.61 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.074 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -80.02 179.4 6.25 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.449 2.099 . . . . 0.0 112.365 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 29.9 t -125.04 149.04 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.889 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.649 HG21 HD12 ' A' ' 115' ' ' LEU . 13.3 t -128.22 112.06 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.839 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.446 ' HG2' HG12 ' A' ' 110' ' ' VAL . 1.3 mm-40 74.03 -49.41 0.68 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.156 -179.723 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 179.89 -26.59 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.484 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.24 171.85 7.24 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.873 0.368 . . . . 0.0 111.004 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 3.2 mp -91.08 133.82 31.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.035 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.649 HD12 HG21 ' A' ' 110' ' ' VAL . 2.5 tt -74.77 128.84 36.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.498 ' N ' HD23 ' A' ' 115' ' ' LEU . 2.8 t70 -58.8 174.45 0.34 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.804 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.839 ' HB3' HD21 ' A' ' 166' ' ' LEU . 2.2 mp -133.53 -68.67 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.06 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -59.09 -51.21 71.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.965 0.412 . . . . 0.0 110.674 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.96 -30.69 71.69 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.307 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.472 ' O ' HG23 ' A' ' 124' ' ' VAL . 0.3 OUTLIER -69.11 -49.01 60.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.134 -179.723 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 44.9 t -60.52 -34.86 74.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.122 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 3.3 mmtm -64.26 -46.59 83.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.938 HG21 HG13 ' A' ' 142' ' ' VAL . 26.8 mt -58.84 -48.89 84.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.46 -179.598 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.649 HG12 ' O ' ' A' ' 129' ' ' GLY . 17.0 t -59.05 -50.18 80.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.813 0.34 . . . . 0.0 111.213 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.56 -43.68 93.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.306 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 58.1 p -56.79 -26.82 58.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.415 ' HB2' HG22 ' A' ' 133' ' ' VAL . 2.9 mmpt? -83.78 -25.11 30.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.919 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 154.57 -24.32 0.65 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.567 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.649 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 140.98 -56.62 0.6 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.459 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.437 ' CZ ' ' HD3' ' A' ' 159' ' ' LYS . 37.0 t80 -179.78 -56.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.795 0.331 . . . . 0.0 110.837 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -60.47 -39.74 88.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.3 tpp -60.89 -35.3 76.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.576 HG12 ' CD1' ' A' ' 139' ' ' TRP . 26.1 t -66.79 -42.53 89.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.006 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 6.8 m -65.27 -37.98 88.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 4.8 mmtp -61.73 -38.15 86.85 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.96 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -92.47 -18.25 23.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.078 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.17 38.37 3.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.82 0.343 . . . . 0.0 110.868 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.631 ' O ' HG23 ' A' ' 142' ' ' VAL . 12.6 mmtp -92.72 12.6 22.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.202 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.576 ' CD1' HG12 ' A' ' 133' ' ' VAL . 68.4 m95 -67.15 -35.09 78.95 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.802 0.334 . . . . 0.0 110.738 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 9.2 m -65.85 -34.56 78.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 13.0 mtpt -71.1 -33.71 70.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.823 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.938 HG13 HG21 ' A' ' 123' ' ' ILE . 24.8 t -61.68 -49.08 85.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.0 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.407 ' HA3' HD11 ' A' ' 158' ' ' LEU . . . -67.78 -42.9 85.87 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.439 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 14.9 m -60.17 -36.04 76.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.783 0.325 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.46 -34.1 76.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 6.2 mp -68.51 -49.14 61.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 149.43 50.14 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.361 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' TYR . . . . . 0.459 ' CE2' HD21 ' A' ' 158' ' ' LEU . 4.9 m-85 -105.6 136.65 44.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.84 154.49 85.7 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -72.29 103.92 1.6 Allowed 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.56 2.174 . . . . 0.0 112.371 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -138.65 -168.24 11.21 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.497 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -85.92 -74.54 0.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.753 0.311 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -82.53 123.2 5.99 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.485 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 1.1 m -161.44 -44.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.836 0.35 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -59.18 -36.08 87.14 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.477 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 6.3 m -67.75 -35.99 79.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.786 0.327 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 4.3 mt -64.93 -41.0 95.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.459 HD21 ' CE2' ' A' ' 148' ' ' TYR . 5.0 mt -71.78 -44.46 63.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.923 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 159' ' ' LYS . . . . . 0.437 ' HD3' ' CZ ' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -61.62 -42.02 98.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.882 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 50.7 m -66.85 -46.06 76.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 36.5 m-70 -65.86 -48.07 72.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 162' ' ' TYR . . . . . 0.529 ' CE2' HG21 ' A' ' 124' ' ' VAL . 32.1 t80 -60.04 -49.05 79.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -92.53 62.99 4.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.799 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.58 -44.07 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.025 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 2.4 mp -130.02 -42.66 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.343 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.839 HD21 ' HB3' ' A' ' 117' ' ' LEU . 0.5 OUTLIER -73.34 -67.08 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.341 -179.635 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 167' ' ' TYR . . . . . 0.586 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 3.0 t80 -45.92 -52.91 23.5 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.299 -0.409 . . . . 0.0 112.071 -179.571 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 168' ' ' PRO . . . . . 0.726 ' HA ' HD12 ' A' ' 171' ' ' LEU . 10.4 Cg_endo -54.61 -25.8 43.09 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.318 2.012 . . . . 0.0 112.63 -179.506 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 169' ' ' TYR . . . . . 0.436 ' CG ' HD13 ' A' ' 94' ' ' LEU . 35.6 t80 -56.87 -53.12 61.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.875 0.369 . . . . 0.0 110.801 179.744 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.18 -50.03 75.57 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.791 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 0.726 HD12 ' HA ' ' A' ' 168' ' ' PRO . 3.0 mt -56.41 -36.16 68.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -59.14 -38.08 78.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.805 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -81.35 -43.99 18.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.958 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 7.9 m -98.05 30.57 3.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.975 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.374 -1.237 . . . . 0.0 112.591 -179.997 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 18.2 m . . . . . 0 N--CA 1.457 -0.108 0 CA-C-O 120.876 0.37 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 73.5 mtt180 -59.71 -46.81 87.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 15.5 mt -65.93 -45.57 81.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.9 -42.97 85.8 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.009 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.475 ' HE1' HD11 ' A' ' 166' ' ' LEU . 33.2 t80 -62.43 -48.8 78.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.919 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.787 HD21 HD22 ' A' ' 117' ' ' LEU . 16.9 mt -60.03 -32.95 71.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -61.08 -39.6 90.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.985 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -69.98 -45.62 66.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.968 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.553 HD23 HD11 ' A' ' 105' ' ' LEU . 28.7 tp -66.1 -43.06 88.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.71 ' HB2' HD22 ' A' ' 105' ' ' LEU . . . -68.74 -37.84 79.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.224 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.05 -44.32 48.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.121 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -60.31 -49.32 78.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.039 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 36.9 m95 -66.28 -35.0 79.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.977 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -55.83 -37.72 69.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.101 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 69.7 mt -59.25 -31.63 69.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.812 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -75.59 -44.73 41.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.817 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 113.75 22.9 5.21 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.526 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.79 -26.08 15.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.784 0.326 . . . . 0.0 111.064 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 31.6 m 64.41 109.78 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.71 HD22 ' HB2' ' A' ' 95' ' ' ALA . 0.8 OUTLIER -64.3 132.61 50.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.032 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -128.03 132.13 49.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.3 pt -98.81 98.71 6.53 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.188 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -68.63 144.79 61.57 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.531 2.154 . . . . 0.0 112.274 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.439 HG13 ' O ' ' A' ' 113' ' ' LYS . 21.5 t -99.62 133.33 42.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.154 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.615 ' CG2' HD23 ' A' ' 115' ' ' LEU . 21.9 t -129.11 128.81 67.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.192 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 60.11 38.67 20.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 60.11 30.18 19.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.805 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.439 ' O ' HG13 ' A' ' 109' ' ' VAL . 13.5 mtmm -144.27 167.69 21.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 4.2 mt -81.76 141.38 15.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.615 HD23 ' CG2' ' A' ' 110' ' ' VAL . 0.3 OUTLIER -83.7 117.81 23.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.961 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.422 ' N ' HD13 ' A' ' 115' ' ' LEU . 8.1 t0 -59.12 162.85 4.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.795 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.787 HD22 HD21 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -139.68 -58.42 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.985 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -57.59 -51.28 70.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.866 0.365 . . . . 0.0 110.717 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.404 ' HB3' ' OD2' ' A' ' 116' ' ' ASP . . . -66.25 -42.54 88.41 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.174 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.883 ' O ' HG23 ' A' ' 124' ' ' VAL . 18.9 tp -60.26 -38.05 82.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.082 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 13.4 t -66.73 -39.89 88.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.035 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -67.97 -43.94 77.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.073 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.705 HD12 ' HA ' ' A' ' 120' ' ' LEU . 8.4 mt -58.8 -40.65 80.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.264 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.883 HG23 ' O ' ' A' ' 120' ' ' LEU . 22.0 t -62.27 -50.23 80.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.167 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.38 -47.09 86.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 50.7 p -57.06 -21.53 32.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.345 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.709 ' CB ' HG22 ' A' ' 133' ' ' VAL . 0.1 OUTLIER -86.17 -27.91 24.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.879 0.371 . . . . 0.0 110.943 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 138.53 41.18 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.451 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.746 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 86.15 -67.45 3.51 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.509 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -177.82 -53.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.879 0.371 . . . . 0.0 111.004 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -56.97 -39.33 74.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.073 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.95 -32.13 71.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.709 HG22 ' CB ' ' A' ' 127' ' ' LYS . 14.0 t -67.12 -45.55 86.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.077 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 3.3 m -70.01 -39.53 75.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 24.0 mtmm -61.72 -37.84 85.67 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.015 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -95.16 -14.9 23.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.153 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? 67.2 38.91 3.22 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.847 0.356 . . . . 0.0 110.846 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -92.57 13.89 18.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.278 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.504 ' CD1' HG12 ' A' ' 133' ' ' VAL . 63.7 m95 -67.14 -32.44 73.56 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.831 0.348 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.5 m -60.31 -40.47 90.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.09 -31.54 72.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.575 HG13 HG21 ' A' ' 123' ' ' ILE . 22.0 t -63.15 -49.11 84.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.063 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -68.98 -39.88 84.64 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.561 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 2.7 m -60.27 -39.46 86.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 111.027 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -61.97 -31.94 72.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.571 HD12 ' HE2' ' A' ' 148' ' ' TYR . 89.5 mt -67.84 -52.89 31.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 140.51 44.34 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.49 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . 0.571 ' HE2' HD12 ' A' ' 146' ' ' LEU . 24.5 m-85 -106.42 134.84 48.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.869 0.366 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.4 mt -75.95 144.87 76.66 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.35 89.21 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.474 2.116 . . . . 0.0 112.28 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -103.88 -151.84 22.37 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.542 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 14.6 mttm -61.55 -72.06 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.799 0.333 . . . . 0.0 110.856 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -164.06 72.85 0.18 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.641 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 20.5 m -65.84 -23.69 66.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.728 0.299 . . . . 0.0 111.093 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -56.95 -37.01 76.24 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.605 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 2.1 m -66.55 -36.19 82.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 110.835 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 6.4 mp -72.95 -38.39 66.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.791 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.475 HD23 HD21 ' A' ' 115' ' ' LEU . 66.4 mt -63.37 -44.61 94.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . 0.432 ' HG3' ' CD2' ' A' ' 139' ' ' TRP . 0.0 OUTLIER -60.95 -47.99 83.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.827 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 8.9 m -67.03 -42.1 85.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -63.95 -47.82 78.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . 0.786 ' CE2' HG21 ' A' ' 124' ' ' VAL . 24.5 t80 -66.99 -46.92 73.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -88.36 69.68 9.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -171.46 -36.84 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.349 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 2.0 mp -126.48 -48.28 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.642 0.258 . . . . 0.0 111.608 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.475 HD11 ' HE1' ' A' ' 90' ' ' PHE . 11.2 tp -78.24 -51.87 9.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.551 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 167' ' ' TYR . . . . . 0.538 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 2.6 t80 -54.84 -55.85 33.98 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.667 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 168' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 10.8 Cg_endo -54.79 -25.84 44.77 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.422 2.081 . . . . 0.0 112.667 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -56.89 -53.12 61.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.856 0.36 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.74 -50.12 74.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.965 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 53.9 mt -56.26 -36.93 69.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.053 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -58.14 -40.67 81.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.953 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -85.15 -40.87 16.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 9.2 m -97.84 30.86 2.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.031 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.432 -1.204 . . . . 0.0 112.487 -179.928 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 11.7 m . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.847 0.356 . . . . 0.0 111.311 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -66.97 -50.18 63.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.769 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.713 HD12 ' N ' ' A' ' 89' ' ' ASP . 3.5 pp -61.01 -46.13 92.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.878 0.37 . . . . 0.0 111.024 -179.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.713 ' N ' HD12 ' A' ' 88' ' ' LEU . 22.0 m-20 -57.69 -43.09 84.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.045 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -68.07 -41.88 81.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.727 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.589 HD11 HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -59.72 -33.98 72.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.924 -179.841 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.1 -41.08 86.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -60.95 -48.13 83.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.213 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.912 HD22 HD12 ' A' ' 105' ' ' LEU . 0.7 OUTLIER -66.08 -41.05 91.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.085 -179.618 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.08 -44.07 69.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.468 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.31 -34.02 65.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.298 -179.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -66.27 -49.0 68.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.276 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.468 ' HD1' HD23 ' A' ' 94' ' ' LEU . 25.9 m95 -66.05 -38.78 89.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.183 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -55.96 -42.52 76.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.108 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.5 mt -58.95 -31.75 68.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.648 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -73.86 -48.36 31.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.537 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.94 -13.05 1.12 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.751 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 43.6 p -94.75 -162.36 0.94 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.773 0.32 . . . . 0.0 110.849 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.3 t -153.45 144.71 23.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.783 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.912 HD12 HD22 ' A' ' 94' ' ' LEU . 3.4 tt -78.42 126.86 31.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.855 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -128.01 132.31 49.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.554 HD11 HD21 ' A' ' 105' ' ' LEU . 1.7 mp -113.89 82.35 6.67 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.243 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.407 ' HG2' ' CE1' ' A' ' 161' ' ' HIS . 50.8 Cg_exo -53.4 179.49 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.623 2.215 . . . . 0.0 112.294 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 29.3 t -125.04 113.11 34.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.016 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.4 t -111.35 138.05 41.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.206 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 61.65 35.93 16.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.017 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 58.56 30.35 19.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -151.48 165.34 34.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.816 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 28.6 mt -78.16 141.3 15.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.101 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.785 HD23 ' O ' ' A' ' 116' ' ' ASP . 3.2 tt -87.43 131.95 34.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.01 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.785 ' O ' HD23 ' A' ' 115' ' ' LEU . 3.8 t0 -69.46 165.57 20.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.535 HD11 HD23 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -138.42 -67.35 0.47 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.029 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -56.74 -51.28 69.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.29 -33.21 74.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.206 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.837 ' HA ' HD12 ' A' ' 123' ' ' ILE . 45.1 tp -68.71 -43.03 76.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.973 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 20.6 t -58.01 -36.99 73.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.033 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.1 mmtm -68.21 -42.79 79.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.083 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.837 HD12 ' HA ' ' A' ' 120' ' ' LEU . 13.7 mt -58.85 -44.12 89.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.359 -179.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.69 HG12 ' O ' ' A' ' 129' ' ' GLY . 18.6 t -59.67 -50.18 80.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.859 0.361 . . . . 0.0 111.131 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.86 -42.82 98.61 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.31 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 42.0 p -56.77 -25.4 55.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.206 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.551 ' CB ' HG22 ' A' ' 133' ' ' VAL . 9.5 mttt -84.08 -25.08 30.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 151.46 -21.37 0.94 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.669 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.69 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 145.89 -57.91 0.51 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.515 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.402 ' CE2' ' OE1' ' A' ' 163' ' ' GLU . 56.3 t80 -178.09 -58.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.836 0.35 . . . . 0.0 110.724 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -59.64 -34.25 72.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.956 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -39.24 88.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.551 HG22 ' CB ' ' A' ' 127' ' ' LYS . 24.1 t -66.81 -44.81 88.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 3.8 m -70.0 -44.39 69.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.962 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 15.3 mmtt -61.69 -37.89 85.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.993 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -92.13 -13.37 30.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.315 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.19 34.73 4.82 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.817 0.341 . . . . 0.0 110.792 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.87 0.17 45.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.368 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.457 ' CD1' HG12 ' A' ' 133' ' ' VAL . 81.3 m95 -58.89 -32.41 69.48 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.839 0.352 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.9 m -61.81 -41.38 97.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -63.35 -32.16 73.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.927 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.531 HG13 HG21 ' A' ' 123' ' ' ILE . 29.3 t -62.42 -48.38 88.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -68.05 -33.4 78.85 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.459 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 14.8 m -65.35 -37.32 86.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.787 0.327 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -31.56 71.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 2.2 tt -78.56 -66.19 0.89 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 160.22 42.64 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.474 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . 0.501 ' CE2' HD21 ' A' ' 158' ' ' LEU . 22.5 m-85 -97.24 118.38 33.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.826 0.346 . . . . 0.0 110.815 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 91.1 mt -61.2 150.28 79.83 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -69.28 92.17 0.47 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.624 2.216 . . . . 0.0 112.167 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -100.41 -147.68 21.36 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.409 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -99.31 -30.16 12.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.847 0.356 . . . . 0.0 111.042 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . 0.441 ' O ' ' HB ' ' A' ' 154' ' ' THR . . . -143.36 -115.93 1.1 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.674 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . 0.441 ' HB ' ' O ' ' A' ' 153' ' ' GLY . 9.8 m 78.5 -7.88 1.73 Allowed 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -75.33 -41.97 29.37 Favored Glycine 0 C--N 1.334 0.423 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.585 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 24.3 m -61.32 -39.45 90.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.819 0.342 . . . . 0.0 110.965 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 4.1 mp -63.95 -45.95 86.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.501 HD21 ' CE2' ' A' ' 148' ' ' TYR . 10.2 mt -65.58 -42.01 92.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.755 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? -72.11 -38.55 69.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.855 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 62.3 m -66.96 -44.4 80.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' HIS . . . . . 0.407 ' CE1' ' HG2' ' A' ' 108' ' ' PRO . 42.3 m-70 -64.01 -41.85 97.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.786 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . 0.42 ' CZ ' HG21 ' A' ' 124' ' ' VAL . 71.6 t80 -61.91 -49.12 77.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.804 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.409 ' HA ' ' CB ' ' A' ' 167' ' ' TYR . 50.7 tt0 -91.43 70.32 5.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.843 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -166.2 -41.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.16 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.625 HG22 HD21 ' A' ' 94' ' ' LEU . 2.4 mt -127.24 -39.42 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.667 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.513 HD23 ' CD1' ' A' ' 94' ' ' LEU . 62.6 mt -84.24 -53.15 5.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.587 -179.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 167' ' ' TYR . . . . . 0.514 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 1.4 t80 -58.64 -55.94 40.86 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.599 -179.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 168' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 17.3 Cg_endo -58.66 -27.11 82.0 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.205 1.937 . . . . 0.0 112.643 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 169' ' ' TYR . . . . . 0.591 ' CD2' HD12 ' A' ' 94' ' ' LEU . 20.2 t80 -56.97 -53.22 60.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.778 0.323 . . . . 0.0 110.835 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.95 -50.23 74.59 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.902 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 67.5 mt -57.98 -38.69 76.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.077 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -57.26 -35.54 69.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.993 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -77.98 -44.03 27.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 1.9 m -99.37 30.32 3.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.333 -1.259 . . . . 0.0 112.423 -179.929 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 29.0 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.818 0.342 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.5 ttt180 -60.19 -48.01 83.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.491 ' HA ' HD12 ' A' ' 91' ' ' LEU . 4.7 tt -66.25 -40.61 90.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -57.74 -42.62 84.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.118 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -62.44 -42.68 99.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.045 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' A' ' 88' ' ' LEU . 11.4 mt -60.85 -33.06 72.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -65.9 -43.72 87.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.078 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 56.5 mm-40 -65.88 -40.68 91.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.981 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.843 HD21 HG22 ' A' ' 165' ' ' ILE . 2.5 tt -63.01 -46.55 87.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.013 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.606 ' HB2' HD23 ' A' ' 105' ' ' LEU . . . -69.91 -41.39 74.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.34 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -65.03 -44.82 87.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.16 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -60.66 -49.04 79.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.09 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 40.0 m95 -66.09 -32.81 74.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.26 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -55.73 -41.59 74.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 0.0 111.092 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 29.0 mt -62.3 -30.86 71.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.82 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -70.33 -40.21 74.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 114.95 16.5 7.31 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.905 -0.665 . . . . 0.0 112.667 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.484 ' C ' HG23 ' A' ' 104' ' ' THR . 0.4 OUTLIER -114.48 -22.01 10.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.699 0.285 . . . . 0.0 111.17 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.484 HG23 ' C ' ' A' ' 103' ' ' SER . 0.0 OUTLIER 56.09 169.18 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.869 0.366 . . . . 0.0 111.054 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.836 HD13 HG21 ' A' ' 165' ' ' ILE . 62.2 tp -113.5 124.79 53.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.971 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 19.1 tptm -119.56 109.96 16.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.656 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 4.8 mt -62.02 110.14 2.95 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.243 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -75.54 126.25 9.5 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.37 2.047 . . . . 0.0 112.367 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.5 t -94.29 116.78 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.028 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 25.2 t -125.14 137.88 56.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.205 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 60.65 35.97 19.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 6.7 ttm-85 58.14 29.57 18.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 7.2 tttm -146.34 166.93 24.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.819 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 29.6 mm -85.58 140.54 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.796 HD23 ' O ' ' A' ' 116' ' ' ASP . 8.9 tt -92.79 111.21 22.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.796 ' O ' HD23 ' A' ' 115' ' ' LEU . 1.5 t70 -59.05 175.23 0.3 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.446 ' HB3' HD23 ' A' ' 166' ' ' LEU . 30.4 mt -142.85 -55.45 0.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.011 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -58.86 -51.37 70.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.97 -39.3 94.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.236 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.838 ' HA ' HD12 ' A' ' 123' ' ' ILE . 42.9 tp -68.83 -39.15 80.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.0 t -57.86 -39.36 77.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.084 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -68.04 -41.02 82.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.944 HG21 HG13 ' A' ' 142' ' ' VAL . 23.1 mt -58.81 -46.25 91.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.382 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.643 HG12 ' O ' ' A' ' 129' ' ' GLY . 17.5 t -59.33 -50.28 80.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.149 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.34 -46.27 89.09 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.29 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 78.6 p -56.8 -25.67 56.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.173 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.02 -24.65 30.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.998 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 154.08 -23.46 0.69 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.679 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.643 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 139.41 -55.3 0.66 Allowed Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.343 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -178.57 -56.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.99 0.424 . . . . 0.0 110.948 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -59.47 -42.08 91.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.002 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -61.0 -34.61 75.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.794 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.604 HG21 HG13 ' A' ' 124' ' ' VAL . 20.2 t -66.98 -46.3 85.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.156 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 28.1 m -69.97 -35.08 74.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 8.7 mtpt -61.87 -31.13 71.37 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.048 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -104.09 -11.97 17.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.287 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 23.9 tttt 65.93 34.99 6.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.815 0.341 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.563 ' O ' HG23 ' A' ' 142' ' ' VAL . 11.3 mmtm -80.58 -4.71 55.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.3 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.565 ' CD1' HG12 ' A' ' 133' ' ' VAL . 97.3 m95 -55.54 -37.4 67.92 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.754 0.312 . . . . 0.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.62 -41.85 99.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.794 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.71 -35.26 80.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.944 HG13 HG21 ' A' ' 123' ' ' ILE . 25.1 t -59.68 -48.45 87.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -59.2 -36.86 90.54 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 16.7 m -66.48 -38.03 86.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.846 0.355 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 22.4 mtm-85 -69.95 -33.99 72.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.7 HD21 ' HB3' ' A' ' 116' ' ' ASP . 0.2 OUTLIER -63.45 -42.0 98.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 135.56 44.4 0.1 Allowed Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.396 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -105.12 166.17 10.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.914 0.387 . . . . 0.0 110.954 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 3.4 mt -88.04 153.57 51.84 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -68.58 145.01 62.71 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.555 2.17 . . . . 0.0 112.304 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 155.57 -171.03 33.58 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.476 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -124.91 134.17 52.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.825 0.345 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 108.14 28.18 4.78 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.466 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 1.1 m -118.23 -39.89 3.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.858 0.361 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . 0.723 ' HA2' HD12 ' A' ' 158' ' ' LEU . . . -58.75 -39.74 94.06 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.536 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 6.4 m -61.16 -38.29 85.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.781 0.325 . . . . 0.0 110.814 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 11.1 mp -69.65 -44.23 70.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.723 HD12 ' HA2' ' A' ' 155' ' ' GLY . 4.0 mt -60.01 -40.12 88.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.937 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . 0.439 ' HG3' ' CD2' ' A' ' 139' ' ' TRP . 1.0 OUTLIER -67.15 -43.34 82.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 3.6 m -66.96 -46.1 75.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 48.9 m-70 -65.81 -41.58 91.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . 0.548 ' HD1' HD23 ' A' ' 120' ' ' LEU . 86.6 t80 -58.43 -46.88 85.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -93.13 47.85 1.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.824 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -132.83 -43.68 0.89 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.016 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.843 HG22 HD21 ' A' ' 94' ' ' LEU . 1.5 mp -129.21 -50.15 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.891 0.377 . . . . 0.0 111.409 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.504 HD13 ' C ' ' A' ' 166' ' ' LEU . 2.8 tm? -63.21 -61.89 2.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.485 -179.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 167' ' ' TYR . . . . . 0.513 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 2.9 t80 -53.06 -56.35 24.6 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.868 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 168' ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 15.1 Cg_endo -57.7 -29.35 85.27 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.238 1.959 . . . . 0.0 112.52 -179.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -57.45 -53.05 62.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.767 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -56.3 -49.45 74.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.818 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 9.1 mp -54.91 -33.88 62.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.973 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -68.23 -31.4 70.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -68.55 -44.2 75.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.018 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 1.8 m 176.97 40.81 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.966 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.433 -1.204 . . . . 0.0 112.58 179.896 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 18.3 m . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.793 0.33 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -58.66 -49.56 77.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.952 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.4 mp -66.94 -46.05 75.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.967 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.74 -43.16 85.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.031 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -67.24 -44.03 80.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.644 HD21 HD11 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -59.98 -36.7 77.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.983 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -67.07 -36.86 82.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -72.01 -39.9 68.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.591 HD23 HD11 ' A' ' 105' ' ' LEU . 19.8 tp -59.56 -48.86 80.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.989 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.433 ' HB2' HD22 ' A' ' 105' ' ' LEU . . . -69.91 -43.09 72.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.226 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -64.96 -41.43 95.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.1 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -66.77 -49.29 66.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.945 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 38.8 m95 -66.24 -35.57 80.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.071 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.79 -40.34 72.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.072 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 16.4 mt -64.71 -30.97 72.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -68.51 -39.38 81.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 109.79 23.84 6.04 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.58 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.3 m -106.11 -26.63 11.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.778 0.323 . . . . 0.0 111.026 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 19.4 m 64.85 107.2 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.591 HD11 HD23 ' A' ' 94' ' ' LEU . 6.6 tt -64.64 133.05 51.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.425 ' O ' ' HD3' ' A' ' 108' ' ' PRO . 33.4 mttp -128.04 132.2 49.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.808 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.5 mt -105.11 100.97 27.61 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.034 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.425 ' HD3' ' O ' ' A' ' 106' ' ' LYS . 2.9 Cg_exo -76.12 168.05 24.78 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.837 2.358 . . . . 0.0 112.269 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.9 t -125.1 117.43 49.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.756 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 15.5 t -107.03 133.15 52.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.356 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 56.65 39.58 29.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.056 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 25.2 mtm-85 56.53 26.67 11.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.965 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -138.28 139.08 38.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.792 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 13.7 mt -72.84 139.13 20.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.121 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.48 HD12 ' OH ' ' A' ' 148' ' ' TYR . 4.6 tt -101.61 110.82 22.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.724 ' H ' HD21 ' A' ' 146' ' ' LEU . 1.8 t70 -59.39 175.47 0.32 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.949 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.964 HD23 HD22 ' A' ' 166' ' ' LEU . 0.3 OUTLIER -126.18 -61.32 1.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.009 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -56.81 -51.15 70.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.947 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -56.75 -38.82 72.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.314 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.705 ' O ' HG23 ' A' ' 124' ' ' VAL . 0.2 OUTLIER -69.0 -38.97 79.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 -179.901 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 10.3 t -58.4 -44.39 88.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.173 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -61.95 -45.53 93.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.157 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.688 HG21 HG13 ' A' ' 142' ' ' VAL . 45.3 mt -58.81 -49.05 84.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.384 -179.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.761 HG21 ' CZ ' ' A' ' 162' ' ' TYR . 20.7 t -58.88 -50.13 80.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.861 0.362 . . . . 0.0 111.311 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -58.0 -47.19 83.75 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.139 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 27.2 p -56.99 -22.26 37.06 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.398 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.42 ' HB2' HG22 ' A' ' 133' ' ' VAL . 1.6 mmtt -87.69 -40.1 14.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.854 0.359 . . . . 0.0 110.86 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 156.5 42.38 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.594 -0.813 . . . . 0.0 112.708 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.625 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 75.63 -63.28 2.69 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.749 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -177.24 -51.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.332 . . . . 0.0 111.13 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -56.74 -44.73 81.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.189 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 3.1 ttm -60.93 -32.77 72.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.878 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.486 HG21 HG13 ' A' ' 124' ' ' VAL . 21.4 t -67.01 -48.65 78.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.11 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 2.9 m -65.64 -39.69 91.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.011 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -37.91 86.18 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -93.11 -13.8 28.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.18 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt 65.94 38.3 5.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.831 0.348 . . . . 0.0 110.79 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.651 ' O ' HG23 ' A' ' 142' ' ' VAL . 16.0 mtpt -89.46 9.57 25.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.297 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.422 ' CE2' ' HG2' ' A' ' 159' ' ' LYS . 88.0 m95 -65.4 -32.02 73.42 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.826 0.346 . . . . 0.0 110.756 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 6.5 m -66.55 -41.53 88.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.755 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 4.6 mtmt -65.35 -34.76 79.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.772 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.688 HG13 HG21 ' A' ' 123' ' ' ILE . 38.2 t -60.18 -45.22 96.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -68.93 -32.97 73.97 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.567 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 67.3 m -58.81 -36.32 74.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.339 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.02 -29.58 64.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.808 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.724 HD21 ' H ' ' A' ' 116' ' ' ASP . 0.3 OUTLIER -75.16 -66.35 0.77 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.828 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 171.84 41.54 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.509 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . 0.48 ' OH ' HD12 ' A' ' 115' ' ' LEU . 76.9 m-85 -115.08 134.34 55.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.833 0.349 . . . . 0.0 110.852 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 34.2 mt -105.77 141.78 23.41 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.773 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.18 154.17 14.67 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.535 2.157 . . . . 0.0 112.302 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -176.05 -82.33 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.492 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.47 -38.66 3.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.889 0.376 . . . . 0.0 110.956 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 169.64 -77.72 0.1 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.473 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . 0.466 HG22 ' O ' ' A' ' 154' ' ' THR . 9.7 m 62.93 17.58 10.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.731 0.3 . . . . 0.0 111.279 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -75.24 -42.0 29.73 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.571 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 25.5 m -65.29 -35.57 81.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.745 0.307 . . . . 0.0 110.982 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 2.7 mp -63.95 -45.05 90.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.465 HD21 ' CE2' ' A' ' 148' ' ' TYR . 37.3 mt -62.18 -40.46 96.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.828 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . 0.422 ' HG2' ' CE2' ' A' ' 139' ' ' TRP . 19.3 mtpt -72.01 -43.59 64.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 2.0 m -65.52 -46.08 81.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 36.6 m-70 -66.19 -43.6 86.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.769 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . 0.761 ' CZ ' HG21 ' A' ' 124' ' ' VAL . 87.3 t80 -60.36 -49.05 79.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.707 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.415 ' HA ' ' CB ' ' A' ' 167' ' ' TYR . 22.6 tt0 -94.07 71.75 3.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.703 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.56 -39.19 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.519 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.483 HG22 HD21 ' A' ' 94' ' ' LEU . 2.7 mp -127.92 -61.63 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.964 HD22 HD23 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -64.53 -44.56 90.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.7 -179.242 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 167' ' ' TYR . . . . . 0.513 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 3.9 t80 -61.65 -57.26 25.84 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.522 -179.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 168' ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 11.0 Cg_endo -55.09 -25.89 47.65 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.22 1.947 . . . . 0.0 112.298 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -60.33 -53.07 61.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.722 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -57.53 -50.13 74.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 89.8 mt -57.65 -34.1 68.99 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -62.92 -31.27 72.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.81 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -69.03 -44.41 72.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.551 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 7.1 m -106.73 26.75 9.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.571 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.028 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.49 -179.924 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 22.4 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.857 0.361 . . . . 0.0 111.229 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.455 HH12 ' HB2' ' A' ' 119' ' ' ALA . 6.9 mtt180 -65.25 -43.5 91.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.965 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.0 -44.01 90.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.8 -43.05 85.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.111 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -58.63 -43.25 89.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.9 mp -64.74 -34.38 78.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -67.13 -36.86 82.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.029 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -66.68 -47.69 71.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.877 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.847 HD22 HD13 ' A' ' 105' ' ' LEU . 3.9 tt -62.64 -42.1 99.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.45 ' HB2' ' HB3' ' A' ' 105' ' ' LEU . . . -70.13 -45.45 66.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.2 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -64.9 -36.82 85.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.022 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -67.12 -49.22 65.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.116 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.443 ' HD1' HD23 ' A' ' 94' ' ' LEU . 47.6 m95 -65.97 -36.58 83.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.964 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.95 -41.95 75.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.987 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 50.0 mt -59.01 -31.63 68.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.684 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.96 -44.5 54.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.693 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 145.82 -14.63 1.76 Allowed Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.723 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 14.8 p -94.04 -162.48 0.95 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.743 0.306 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -156.94 133.38 9.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.839 0.352 . . . . 0.0 110.713 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.847 HD13 HD22 ' A' ' 94' ' ' LEU . 25.9 tp -65.48 119.41 10.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.401 ' O ' ' HD3' ' A' ' 108' ' ' PRO . 3.5 mttt -128.06 132.15 49.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.674 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.831 ' CD1' HD21 ' A' ' 117' ' ' LEU . 22.4 mm -105.82 101.06 30.97 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.195 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 106' ' ' LYS . 37.6 Cg_exo -60.18 165.38 10.8 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.494 2.129 . . . . 0.0 112.23 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 t -110.29 112.83 42.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.979 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.2 t -106.97 133.24 52.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.055 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.416 ' HG3' ' CD1' ' A' ' 148' ' ' TYR . 1.9 mm-40 59.32 35.99 23.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 59.74 35.75 22.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -150.44 153.64 36.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 32.0 mt -88.32 125.9 41.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.054 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.664 HD12 ' HG ' ' A' ' 146' ' ' LEU . 3.9 tp -90.01 143.62 26.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.955 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -78.29 174.21 11.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.785 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.831 HD21 ' CD1' ' A' ' 107' ' ' ILE . 5.0 mp -120.92 -55.72 1.97 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.999 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -55.9 -51.14 68.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.957 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.455 ' HB2' HH12 ' A' ' 87' ' ' ARG . . . -55.85 -45.91 78.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.383 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.679 ' O ' HG23 ' A' ' 124' ' ' VAL . 0.5 OUTLIER -58.17 -48.15 81.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 -179.81 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 16.7 t -57.99 -36.63 72.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.081 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.93 -45.69 73.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.047 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.724 HG21 HG13 ' A' ' 142' ' ' VAL . 38.7 mt -58.92 -44.01 89.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.354 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 120' ' ' LEU . 17.7 t -59.41 -50.18 80.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.801 0.334 . . . . 0.0 111.171 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.2 -41.32 88.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.318 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 15.5 p -56.82 -27.2 59.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.224 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.444 ' CB ' HG22 ' A' ' 133' ' ' VAL . 2.4 mptt -83.88 -25.76 29.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.973 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 153.55 -22.64 0.73 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.741 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.647 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 143.42 -56.07 0.56 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.444 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -179.67 -57.23 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.885 0.374 . . . . 0.0 110.855 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -59.93 -39.4 85.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.5 ttm -61.0 -34.03 74.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.444 HG22 ' CB ' ' A' ' 127' ' ' LYS . 21.7 t -66.99 -40.0 84.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.103 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 4.0 m -67.61 -46.07 73.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 10.4 mtpp -61.74 -38.09 86.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -85.41 -19.38 31.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.079 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 67.43 38.08 3.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.829 0.347 . . . . 0.0 110.803 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.72 ' O ' HG23 ' A' ' 142' ' ' VAL . 62.8 mmtt -91.17 10.94 24.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.287 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -65.23 -39.58 92.94 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.841 0.353 . . . . 0.0 110.816 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 3.6 m -64.31 -36.54 84.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -67.72 -35.67 79.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.848 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.724 HG13 HG21 ' A' ' 123' ' ' ILE . 21.9 t -59.73 -42.47 88.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.049 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -67.82 -39.16 89.85 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.426 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 3.2 m -59.96 -35.96 76.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.772 0.32 . . . . 0.0 110.842 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.53 -31.27 72.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.664 ' HG ' HD12 ' A' ' 115' ' ' LEU . 0.1 OUTLIER -72.33 -71.51 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 170.96 50.81 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.566 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . 0.681 ' HE2' HD21 ' A' ' 158' ' ' LEU . 23.3 m-85 -112.71 153.73 27.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.817 0.341 . . . . 0.0 110.953 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 5.4 mt -92.61 146.62 32.67 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.87 162.35 2.63 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.579 2.186 . . . . 0.0 112.265 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 144.83 -160.43 27.99 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.508 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 14.5 mtpt -105.2 128.93 53.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.787 0.327 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 106.88 -136.57 13.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.459 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 10.2 m 69.47 -63.53 0.38 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.802 0.334 . . . . 0.0 111.157 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -56.88 -33.95 64.47 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.602 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 67.8 m -60.89 -40.01 91.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.903 0.383 . . . . 0.0 110.933 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 5.2 mp -74.09 -41.47 61.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.681 HD21 ' HE2' ' A' ' 148' ' ' TYR . 11.3 mt -62.95 -45.11 94.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -48.09 83.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 48.0 m -67.12 -37.18 83.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' HIS . . . . . 0.4 ' CE1' ' HG2' ' A' ' 108' ' ' PRO . 18.6 m-70 -66.83 -48.01 70.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.962 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . 0.608 ' CE2' HG21 ' A' ' 124' ' ' VAL . 28.8 t80 -60.48 -49.02 79.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.838 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -88.82 54.82 3.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.796 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.03 -43.9 0.2 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.007 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.699 HG22 HD21 ' A' ' 94' ' ' LEU . 2.6 mp -132.16 -41.43 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.448 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.564 ' HG ' HD23 ' A' ' 117' ' ' LEU . 5.3 mp -73.51 -64.35 1.01 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.368 -179.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 167' ' ' TYR . . . . . 0.557 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 1.7 t80 -51.5 -54.99 33.24 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.985 -179.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 168' ' ' PRO . . . . . 0.557 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 10.4 Cg_endo -54.72 -26.05 45.18 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.333 2.022 . . . . 0.0 112.74 -179.343 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 169' ' ' TYR . . . . . 0.468 ' CD2' HD12 ' A' ' 94' ' ' LEU . 17.4 t80 -57.73 -53.2 60.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.877 0.37 . . . . 0.0 110.737 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -60.19 -49.95 75.58 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.774 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 0.533 HD12 ' HA ' ' A' ' 168' ' ' PRO . 3.8 mt -54.92 -34.47 63.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.993 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -65.71 -32.11 73.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.814 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 60.2 mm-40 -64.2 -44.33 92.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.613 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 3.3 m -110.91 26.29 10.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.511 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.44 -1.2 . . . . 0.0 112.52 179.997 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.4 HG23 ' N ' ' A' ' 87' ' ' ARG . 28.3 m . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.764 0.316 . . . . 0.0 111.302 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.4 ' N ' HG23 ' A' ' 86' ' ' VAL . 12.6 mtp180 -65.83 -50.07 65.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.066 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.517 ' HA ' HD12 ' A' ' 91' ' ' LEU . 3.5 tt -61.31 -43.68 98.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.888 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -57.81 -42.78 84.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.092 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -67.11 -45.67 76.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.527 ' CD2' HD13 ' A' ' 117' ' ' LEU . 9.4 mt -59.95 -32.98 71.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -62.17 -47.09 86.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -62.49 -48.05 81.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.642 HD13 ' CG ' ' A' ' 169' ' ' TYR . 39.7 tp -64.14 -43.85 93.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.881 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.12 -45.4 66.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.302 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -69.26 -41.08 77.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.192 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -61.84 -49.49 76.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.044 -179.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 34.4 m95 -66.51 -37.79 85.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.075 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -55.81 -44.37 77.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.154 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 7.0 mt -60.33 -31.25 70.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -66.63 -39.27 88.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 115.79 17.66 6.35 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.632 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.21 -28.07 7.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.724 0.297 . . . . 0.0 110.983 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 7.1 m 64.42 147.58 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.566 HD12 ' HG ' ' A' ' 94' ' ' LEU . 4.4 tt -88.22 127.1 35.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.98 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -128.07 128.2 44.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.672 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 5.0 mt -102.81 94.04 4.88 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.164 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.25 132.94 23.56 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.508 2.139 . . . . 0.0 112.268 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.5 t -83.03 123.51 38.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.004 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.4 t -116.56 129.18 73.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.184 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 58.59 39.44 24.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.991 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.29 28.83 18.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -138.56 143.93 39.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 10.3 mt -78.75 123.56 35.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.066 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.465 ' CD1' HD23 ' A' ' 158' ' ' LEU . 4.0 tp -73.23 105.34 4.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -59.92 164.04 4.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.527 HD13 ' CD2' ' A' ' 91' ' ' LEU . 4.7 mp -118.97 -66.99 1.02 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.997 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -54.85 -51.24 66.51 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.858 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.74 -39.42 91.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.191 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.581 ' O ' HG23 ' A' ' 124' ' ' VAL . 27.7 tp -64.39 -47.16 80.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 41.9 t -57.99 -34.93 70.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.074 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.61 -45.87 74.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.123 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.796 HG21 HG13 ' A' ' 142' ' ' VAL . 45.1 mt -58.76 -44.84 91.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.395 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.612 HG21 ' CZ ' ' A' ' 162' ' ' TYR . 21.6 t -58.85 -50.32 79.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.132 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.19 -46.11 90.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.273 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 97.8 p -56.75 -24.52 50.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.34 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.419 ' HB2' HG22 ' A' ' 133' ' ' VAL . 11.0 mmtt -82.85 -22.57 34.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.862 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 149.8 -21.64 1.15 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.474 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.603 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 138.51 -56.42 0.65 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.287 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -179.02 -57.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.84 0.352 . . . . 0.0 110.842 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -61.24 -36.95 81.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.976 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 78.1 mmm -61.01 -34.79 75.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.519 HG12 ' CD1' ' A' ' 139' ' ' TRP . 16.5 t -67.02 -45.87 86.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.153 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 6.5 m -70.03 -31.93 69.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.999 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 13.8 mtmm -61.64 -33.02 73.22 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.001 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -112.75 2.91 16.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.496 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 57.93 35.41 25.31 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.823 0.344 . . . . 0.0 110.955 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.453 ' HB2' HG13 ' A' ' 133' ' ' VAL . 1.3 mmmm -75.55 -6.7 51.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.45 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.519 ' CD1' HG12 ' A' ' 133' ' ' VAL . 93.4 m95 -56.15 -34.46 66.17 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.804 0.335 . . . . 0.0 111.09 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 2.4 m -63.46 -33.02 74.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -71.97 -36.39 69.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.796 HG13 HG21 ' A' ' 123' ' ' ILE . 21.5 t -60.6 -48.97 86.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.516 ' HA3' HD11 ' A' ' 158' ' ' LEU . . . -65.34 -34.75 90.24 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.484 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 17.6 m -62.31 -41.83 98.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.943 0.401 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -61.94 -34.05 75.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.89 -29.34 70.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.826 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 117.95 33.61 1.25 Allowed Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.635 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . 0.585 ' CD2' HG21 ' A' ' 154' ' ' THR . 6.7 m-85 -86.89 154.47 20.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.764 0.316 . . . . 0.0 110.869 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 2.9 mt -86.41 134.54 37.99 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.6 173.55 0.24 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.457 2.105 . . . . 0.0 112.153 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 120.72 -104.02 0.95 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.55 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.53 173.95 7.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.809 0.338 . . . . 0.0 110.935 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -88.05 132.21 11.08 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.586 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . 0.585 HG21 ' CD2' ' A' ' 148' ' ' TYR . 1.7 m -106.68 -21.49 13.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.753 0.311 . . . . 0.0 111.066 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -56.89 -34.03 64.64 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.684 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 49.8 m -68.09 -36.59 80.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.924 0.393 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 4.0 mp -74.11 -41.31 61.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.516 HD11 ' HA3' ' A' ' 143' ' ' GLY . 8.9 mt -64.36 -39.09 93.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . 0.439 ' HG2' ' CE2' ' A' ' 139' ' ' TRP . 0.0 OUTLIER -64.0 -47.04 81.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.955 -179.879 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 2.4 m -63.83 -44.88 91.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.07 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 29.8 m-70 -72.02 -43.69 64.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.064 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . 0.612 ' CZ ' HG21 ' A' ' 124' ' ' VAL . 54.9 t80 -62.65 -49.06 76.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.132 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -94.43 67.55 3.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.101 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -160.69 -49.62 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 1.7 mp -123.61 -26.03 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.744 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 1.5 tt -92.47 -64.56 1.09 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.75 0.31 . . . . 0.0 111.365 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 167' ' ' TYR . . . . . 0.56 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 1.8 t80 -48.58 -55.32 20.05 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.774 -179.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 168' ' ' PRO . . . . . 0.56 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 11.0 Cg_endo -54.76 -29.25 61.34 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.392 2.061 . . . . 0.0 112.809 -179.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 169' ' ' TYR . . . . . 0.642 ' CG ' HD13 ' A' ' 94' ' ' LEU . 24.2 t80 -57.6 -53.21 60.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 0.0 110.874 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -58.11 -50.16 74.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 168' ' ' PRO . 5.8 mt -59.87 -34.15 72.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.979 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -58.73 -37.41 76.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -85.15 -42.78 14.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 12.9 m -97.92 31.16 2.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.156 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.274 -1.292 . . . . 0.0 112.608 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 10.6 m . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.851 0.358 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.9 -50.02 70.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.71 ' HA ' HD12 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -64.54 -44.76 89.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.745 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.9 -39.32 77.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -58.69 -42.22 88.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.71 HD12 ' HA ' ' A' ' 88' ' ' LEU . 6.1 mt -62.17 -33.02 73.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.73 -46.6 74.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.972 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -61.56 -42.36 98.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.45 HD12 ' CD1' ' A' ' 169' ' ' TYR . 20.1 tp -66.53 -45.67 78.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.95 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.967 ' HB2' HD23 ' A' ' 105' ' ' LEU . . . -70.09 -38.51 75.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.386 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.0 mttt -74.41 -44.62 51.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.14 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -62.37 -49.27 76.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.99 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 39.3 m95 -66.36 -33.14 75.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.939 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.83 -39.34 71.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.006 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.3 mp -59.04 -33.47 70.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -70.03 -44.35 69.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 112.5 23.99 5.19 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.494 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.6 -25.01 13.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.748 0.309 . . . . 0.0 111.074 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 7.8 m 65.38 128.51 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.833 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.967 HD23 ' HB2' ' A' ' 95' ' ' ALA . 45.4 tp -78.93 126.4 30.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.013 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.422 ' O ' ' HD3' ' A' ' 108' ' ' PRO . 1.2 mttp -128.14 132.4 48.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.619 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.1 mp -108.11 98.53 26.83 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.284 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.422 ' HD3' ' O ' ' A' ' 106' ' ' LYS . 17.7 Cg_exo -66.57 176.29 4.35 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.707 2.271 . . . . 0.0 112.305 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 31.2 t -122.88 120.87 61.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.77 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 20.8 t -109.62 122.1 63.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.393 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 55.56 45.09 25.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.149 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.99 27.53 13.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.94 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 5.0 tttm -136.92 140.33 42.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.786 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.542 ' H ' HD12 ' A' ' 114' ' ' ILE . 3.5 mp -69.66 138.54 21.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.492 HD21 HD22 ' A' ' 158' ' ' LEU . 0.5 OUTLIER -87.04 112.7 22.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.017 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -69.03 157.65 36.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.804 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.727 HD23 ' HG ' ' A' ' 166' ' ' LEU . 4.6 mp -115.88 -58.25 2.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.066 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.42 ' CE2' ' HE3' ' A' ' 122' ' ' LYS . 13.7 t80 -56.22 -51.12 69.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.04 -44.9 95.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.322 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.686 ' O ' HG23 ' A' ' 124' ' ' VAL . 0.7 OUTLIER -60.76 -48.98 79.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.059 -179.716 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.5 t -58.63 -35.65 72.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.106 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.42 ' HE3' ' CE2' ' A' ' 118' ' ' TYR . 20.6 mttt -67.95 -46.69 70.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.064 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.796 HG21 HG13 ' A' ' 142' ' ' VAL . 23.6 mt -58.96 -39.75 78.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.384 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 120' ' ' LEU . 22.1 t -62.26 -50.27 80.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.102 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.5 -38.57 84.74 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.288 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 25.9 p -56.76 -26.74 58.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.276 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.525 ' HB2' HG22 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -83.91 -25.59 30.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.916 179.887 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 152.3 -22.44 0.86 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.614 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.678 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 145.88 -58.96 0.5 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.346 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.427 ' HB2' ' CZ ' ' A' ' 167' ' ' TYR . 19.7 t80 -179.48 -56.92 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.832 0.349 . . . . 0.0 110.861 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -57.44 -39.23 75.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.999 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 4.3 mmm -60.95 -37.63 83.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.756 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.667 HG12 ' CD1' ' A' ' 139' ' ' TRP . 25.0 t -67.01 -44.45 88.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.074 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.2 m -69.11 -45.74 69.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.66 -35.81 79.03 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.954 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -89.55 -19.62 24.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.018 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.94 37.75 2.99 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.883 0.373 . . . . 0.0 111.002 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -97.43 18.26 15.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.667 ' CD1' HG12 ' A' ' 133' ' ' VAL . 62.0 m95 -67.06 -34.9 78.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.875 0.369 . . . . 0.0 110.897 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 5.4 m -59.94 -38.86 83.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.832 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -62.02 -32.29 72.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.796 HG13 HG21 ' A' ' 123' ' ' ILE . 21.6 t -63.51 -49.0 84.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.152 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -61.52 -32.76 82.38 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.606 -0.806 . . . . 0.0 112.511 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 22.4 m -65.92 -43.24 88.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.787 0.327 . . . . 0.0 110.843 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -31.27 71.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.492 HD11 HD23 ' A' ' 120' ' ' LEU . 7.1 mt -73.73 -31.33 63.31 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.813 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 122.1 45.08 0.34 Allowed Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.576 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . 0.583 ' CE2' HD21 ' A' ' 158' ' ' LEU . 5.9 m-85 -101.21 158.95 15.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.804 0.335 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 16.4 mt -103.58 153.82 38.33 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -68.6 132.46 25.33 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.536 2.157 . . . . 0.0 112.238 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 179.63 -171.26 42.9 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.49 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 47.4 mttp -96.39 143.09 27.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.908 0.385 . . . . 0.0 110.782 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 60.13 90.64 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.588 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 49.8 m -158.67 -53.66 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.765 0.316 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -61.49 -38.84 96.45 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.634 -0.794 . . . . 0.0 112.499 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 67.9 m -66.04 -34.4 77.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.852 0.358 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 9.7 mp -65.29 -46.06 81.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.803 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.583 HD21 ' CE2' ' A' ' 148' ' ' TYR . 44.8 mt -60.88 -35.44 76.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.956 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . 0.417 ' HG2' ' CE2' ' A' ' 139' ' ' TRP . 0.1 OUTLIER -68.76 -38.16 79.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.923 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 68.3 m -66.55 -45.7 78.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -63.93 -43.11 96.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . 0.489 ' CD1' HD12 ' A' ' 120' ' ' LEU . 30.0 t80 -62.91 -35.5 80.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.403 ' OE1' ' CZ ' ' A' ' 130' ' ' PHE . 11.7 tp10 -97.07 44.79 1.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.828 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.64 -46.39 0.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 1.8 mp -134.8 -36.18 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.394 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.727 ' HG ' HD23 ' A' ' 117' ' ' LEU . 5.9 mp -69.5 -74.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.494 -179.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 167' ' ' TYR . . . . . 0.581 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 2.1 t80 -54.74 -53.45 60.41 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.292 -0.413 . . . . 0.0 112.045 -179.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 168' ' ' PRO . . . . . 0.581 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 9.3 Cg_endo -54.49 -25.77 41.91 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.253 1.968 . . . . 0.0 112.826 -179.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 169' ' ' TYR . . . . . 0.45 ' CD1' HD12 ' A' ' 94' ' ' LEU . 58.9 t80 -58.61 -53.08 62.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.757 0.313 . . . . 0.0 110.661 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.43 -50.15 70.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 0.54 HD22 ' O ' ' A' ' 175' ' ' GLY . 51.5 mt -54.9 -33.9 62.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.068 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -68.38 -32.0 71.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 173' ' ' GLN . . . . . 0.444 ' NE2' ' CE1' ' A' ' 169' ' ' TYR . 60.2 mm-40 -66.39 -44.05 84.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.963 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 2.3 m -179.96 39.21 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.923 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . 0.54 ' O ' HD22 ' A' ' 171' ' ' LEU . . . . . . . . 0 C--O 1.25 1.132 0 CA-C-O 118.404 -1.22 . . . . 0.0 112.571 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 17.1 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.726 0.298 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.3 ttp180 -63.49 -44.69 93.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.49 -43.49 96.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.8 -43.08 85.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.157 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -60.23 -41.93 94.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.083 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.82 -41.48 97.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.073 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -61.34 -37.11 82.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.231 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -68.13 -43.24 78.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.03 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.544 HD12 ' CD2' ' A' ' 169' ' ' TYR . 4.2 tt -68.0 -42.92 79.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.962 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.04 -44.98 68.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.247 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.92 -41.81 95.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.161 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -59.56 -49.12 79.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.487 ' CD1' HD23 ' A' ' 105' ' ' LEU . 42.6 m95 -66.03 -36.14 82.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.9 -39.79 72.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 64.1 mt -59.15 -38.69 80.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.807 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -63.01 -45.03 94.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.835 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 114.86 22.94 4.82 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.487 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -103.93 -25.35 13.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.729 0.299 . . . . 0.0 111.02 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 10.6 m 68.84 119.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.753 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.537 HD21 ' CG2' ' A' ' 165' ' ' ILE . 0.4 OUTLIER -79.23 126.18 30.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.081 -179.826 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.496 ' N ' HD13 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -124.05 109.85 14.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.759 179.813 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 4.7 mt -71.89 110.91 8.76 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.08 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -69.03 156.16 66.12 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.446 2.097 . . . . 0.0 112.198 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 t -117.01 112.78 40.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.174 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.4 t -112.07 135.29 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 60.49 32.93 20.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 61.0 32.27 19.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -151.34 155.11 38.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 32.2 mt -77.22 132.49 32.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.088 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.595 HD21 HD22 ' A' ' 120' ' ' LEU . 7.6 tt -87.17 122.53 31.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.046 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -67.13 142.23 57.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.784 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.487 ' CA ' HD11 ' A' ' 166' ' ' LEU . 14.0 mt -98.58 -54.45 3.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.974 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -56.93 -51.03 70.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.2 -46.65 89.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.16 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.748 ' O ' HG23 ' A' ' 124' ' ' VAL . 52.3 tp -62.61 -41.68 99.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.021 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.0 t -58.3 -38.73 77.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.078 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.1 mmtm -68.11 -45.03 74.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.08 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 1.032 HG21 HG13 ' A' ' 142' ' ' VAL . 55.1 mt -58.73 -38.67 73.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.368 -179.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 120' ' ' LEU . 16.9 t -68.07 -50.29 60.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.101 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.34 -44.8 95.63 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.249 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 35.9 p -56.71 -24.35 48.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.224 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.512 ' CB ' HG22 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -82.77 -24.55 33.41 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.86 179.841 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 151.85 -22.4 0.9 Allowed Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.625 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.632 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 145.38 -61.27 0.48 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.507 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.407 ' CZ ' ' HE2' ' A' ' 159' ' ' LYS . 88.7 t80 -178.83 -59.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.899 0.38 . . . . 0.0 110.821 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -58.96 -37.23 76.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.987 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -61.0 -38.32 85.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.783 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.749 HG12 ' CD1' ' A' ' 139' ' ' TRP . 16.2 t -66.99 -39.91 84.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.056 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.46 -46.01 74.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -61.96 -38.11 87.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.981 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -86.6 -20.67 27.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.039 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 10.2 tttt 65.88 37.1 5.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.914 0.388 . . . . 0.0 110.816 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.78 8.5 28.65 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.358 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.749 ' CD1' HG12 ' A' ' 133' ' ' VAL . 85.8 m95 -62.25 -32.01 72.65 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.796 0.332 . . . . 0.0 110.73 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 7.4 m -60.84 -37.43 82.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.749 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -69.66 -33.38 72.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.8 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 1.032 HG13 HG21 ' A' ' 123' ' ' ILE . 29.9 t -59.95 -47.06 93.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.007 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -64.26 -35.31 91.81 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.415 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 3.2 m -61.24 -37.76 84.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.824 0.345 . . . . 0.0 110.809 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.25 -31.61 72.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 9.3 mp -78.86 -59.32 2.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 156.1 43.99 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.475 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . 0.746 ' CE2' HD21 ' A' ' 158' ' ' LEU . 7.8 m-85 -105.58 137.43 43.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.892 0.377 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 24.2 mt -104.65 153.81 38.95 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.58 117.71 5.06 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.516 2.144 . . . . 0.0 112.313 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -131.67 -112.32 1.43 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.534 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -105.66 -60.23 1.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.797 0.332 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . 0.51 ' O ' HD23 ' A' ' 157' ' ' LEU . . . -163.87 91.37 0.11 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.414 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 5.2 m -110.66 -30.26 7.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.8 0.334 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -58.42 -41.9 95.49 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.525 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 1.6 m -63.53 -31.22 72.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.883 0.373 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 0.51 HD23 ' O ' ' A' ' 153' ' ' GLY . 4.0 mm? -72.95 -32.64 65.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.954 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.746 HD21 ' CE2' ' A' ' 148' ' ' TYR . 77.3 mt -67.9 -44.94 75.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . 0.407 ' HE2' ' CZ ' ' A' ' 130' ' ' PHE . 3.3 tmtt? -61.93 -44.92 95.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.922 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 5.3 m -66.8 -43.1 84.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -65.03 -43.61 91.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . 0.439 ' CE2' ' CD1' ' A' ' 167' ' ' TYR . 70.9 t80 -61.37 -49.01 78.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.958 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -90.93 70.16 6.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.36 -41.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.101 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.537 ' CG2' HD21 ' A' ' 105' ' ' LEU . 1.9 mp -129.39 -42.1 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.524 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.487 HD11 ' CA ' ' A' ' 117' ' ' LEU . 1.3 tt -78.03 -57.31 3.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.531 -179.422 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 167' ' ' TYR . . . . . 0.55 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 1.5 t80 -55.29 -55.45 39.49 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.824 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 168' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 10.4 Cg_endo -54.78 -25.72 44.14 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.401 2.068 . . . . 0.0 112.849 -179.375 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 169' ' ' TYR . . . . . 0.544 ' CD2' HD12 ' A' ' 94' ' ' LEU . 27.7 t80 -56.8 -53.19 60.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 110.779 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.94 -50.05 74.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.042 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 0.501 ' H ' HD12 ' A' ' 171' ' ' LEU . 6.2 mp -56.07 -34.0 65.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.16 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -65.32 -31.34 72.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 -66.39 -44.32 83.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.572 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -110.27 26.83 10.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.52 179.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.324 -1.264 . . . . 0.0 112.491 180.0 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 15.6 m . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.808 0.337 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -63.23 -49.18 75.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.24 -42.74 99.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.77 -42.91 85.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -58.38 -48.97 78.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.438 HD11 HD13 ' A' ' 117' ' ' LEU . 5.2 mp -60.02 -32.97 71.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.05 -45.44 93.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.939 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 61.7 mm-40 -66.32 -40.05 89.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.542 ' HG ' HD13 ' A' ' 105' ' ' LEU . 56.0 tp -64.97 -45.21 86.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.801 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 1.054 ' HB2' HD22 ' A' ' 105' ' ' LEU . . . -69.85 -43.13 72.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.5 mmtm -66.29 -43.33 86.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.467 ' HA ' HD12 ' A' ' 100' ' ' LEU . 66.8 t80 -63.52 -49.12 74.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.048 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 33.8 m95 -66.02 -36.14 82.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -55.8 -42.59 75.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.039 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' A' ' 97' ' ' PHE . 4.7 mt -60.99 -31.82 71.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.833 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -70.45 -41.72 72.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 112.4 22.87 5.66 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.498 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.09 -27.0 13.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.81 0.338 . . . . 0.0 111.06 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 23.6 m 65.54 105.61 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 1.054 HD22 ' HB2' ' A' ' 95' ' ' ALA . 0.7 OUTLIER -64.31 134.79 55.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.018 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -128.03 132.17 49.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.751 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.0 mp -99.19 96.96 4.68 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.234 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.71 132.98 24.56 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.469 2.113 . . . . 0.0 112.351 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 t -94.91 116.69 36.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.986 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 18.2 t -106.94 123.12 61.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.196 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.552 ' OE2' HD12 ' A' ' 149' ' ' LEU . 7.3 mm-40 59.99 38.44 20.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.38 30.02 19.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.956 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.8 mtmp? -142.51 144.86 33.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.558 ' H ' HD12 ' A' ' 114' ' ' ILE . 3.6 mp -73.74 131.36 35.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.079 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.559 HD23 ' O ' ' A' ' 116' ' ' ASP . 7.9 tt -79.41 119.19 22.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.559 ' O ' HD23 ' A' ' 115' ' ' LEU . 10.1 t0 -60.28 152.45 24.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.823 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.438 HD13 HD11 ' A' ' 91' ' ' LEU . 4.9 mp -124.6 -54.47 1.66 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.08 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -55.24 -51.18 67.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.126 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.19 -47.14 80.92 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.333 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.509 ' CD1' HG11 ' A' ' 142' ' ' VAL . 49.6 tp -58.94 -41.23 86.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.251 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.7 t -58.02 -38.91 77.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.15 -40.18 82.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.105 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.562 HD13 HG13 ' A' ' 142' ' ' VAL . 71.3 mt -58.91 -48.93 84.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.369 -179.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.704 HG12 ' O ' ' A' ' 129' ' ' GLY . 19.6 t -57.22 -50.24 77.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.31 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.61 -43.21 99.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.232 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 17.4 p -56.74 -24.83 52.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.258 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.482 ' CB ' HG22 ' A' ' 133' ' ' VAL . 0.2 OUTLIER -84.12 -24.19 30.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.964 179.837 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 148.62 -19.4 1.3 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.668 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.704 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 144.87 -55.62 0.55 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.45 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.446 ' HB2' ' CZ ' ' A' ' 167' ' ' TYR . 12.1 t80 -178.69 -55.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.81 0.338 . . . . 0.0 110.972 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -58.33 -38.62 77.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.925 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.01 -35.08 75.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.482 HG22 ' CB ' ' A' ' 127' ' ' LYS . 30.4 t -67.03 -43.29 89.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.012 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 4.1 m -69.69 -45.4 68.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 36.8 mttt -61.77 -32.68 72.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -92.61 -13.54 29.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.228 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 66.33 31.69 8.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.876 0.37 . . . . 0.0 110.774 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.627 ' O ' HG23 ' A' ' 142' ' ' VAL . 17.3 mmtt -76.76 -13.81 59.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.28 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.428 ' CE2' ' HG2' ' A' ' 159' ' ' LYS . 85.5 m95 -53.05 -38.54 62.53 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.79 0.329 . . . . 0.0 111.107 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 40.8 m -64.22 -40.54 96.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.762 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 9.1 mmmt -68.12 -33.41 74.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.859 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 138' ' ' LYS . 35.4 t -60.44 -48.61 87.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.131 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -60.08 -39.15 95.39 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.523 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 70.4 m -67.07 -36.8 82.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.792 0.329 . . . . 0.0 110.946 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -34.1 76.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -68.66 -58.17 4.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.816 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 145.0 44.98 0.04 OUTLIER Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.58 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . 0.505 ' CZ ' HD21 ' A' ' 158' ' ' LEU . 5.2 m-85 -91.64 176.7 6.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.765 0.317 . . . . 0.0 110.999 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.552 HD12 ' OE2' ' A' ' 111' ' ' GLU . 1.5 mt -120.9 154.01 57.51 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.68 98.8 0.8 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.519 2.146 . . . . 0.0 112.264 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -135.92 -160.74 8.96 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.531 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 19.2 mttp -79.83 102.73 9.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.778 0.323 . . . . 0.0 110.943 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 66.33 135.38 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.478 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -159.7 -46.29 0.05 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.795 0.331 . . . . 0.0 110.91 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -63.6 -41.75 99.02 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.544 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 2.3 m -64.49 -32.58 74.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 21.3 mt -65.28 -46.02 82.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.909 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.505 HD21 ' CZ ' ' A' ' 148' ' ' TYR . 75.6 mt -60.5 -42.37 96.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.828 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . 0.428 ' HG2' ' CE2' ' A' ' 139' ' ' TRP . 0.0 OUTLIER -65.36 -40.93 94.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.817 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 13.4 m -67.0 -40.81 87.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 51.6 m-70 -72.05 -45.98 58.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . 0.604 ' CE2' HG21 ' A' ' 124' ' ' VAL . 75.2 t80 -59.04 -48.07 82.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -88.08 55.1 3.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.763 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . 0.501 ' HB3' HD12 ' A' ' 165' ' ' ILE . 0.0 OUTLIER -144.42 -43.94 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.098 -179.859 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.792 HG21 HD12 ' A' ' 105' ' ' LEU . 2.6 mp -131.43 -42.74 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.43 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.488 HD13 ' CE1' ' A' ' 162' ' ' TYR . 0.5 OUTLIER -69.75 -68.01 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.453 -179.535 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 167' ' ' TYR . . . . . 0.559 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 3.1 t80 -48.53 -54.61 24.93 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.978 -179.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 168' ' ' PRO . . . . . 0.559 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 10.6 Cg_endo -54.86 -25.48 43.66 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.303 2.002 . . . . 0.0 112.534 -179.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 169' ' ' TYR . . . . . 0.465 ' CG ' HD13 ' A' ' 94' ' ' LEU . 17.6 t80 -56.91 -53.2 60.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.829 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.79 -50.06 75.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.925 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 0.54 HD12 ' HA ' ' A' ' 168' ' ' PRO . 7.7 mt -58.87 -40.02 83.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.126 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -58.65 -37.24 75.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.052 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -85.02 -43.02 14.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.991 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 3.0 m -97.18 30.55 2.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.058 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.301 -1.277 . . . . 0.0 112.533 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 8.1 m . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.857 0.361 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.99 -46.17 75.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.22 -43.6 94.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -57.87 -42.04 83.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.118 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -58.05 -50.07 74.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.01 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.7 mp -61.0 -32.9 72.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.96 -46.64 89.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.998 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 -61.46 -42.92 99.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.942 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.701 HD11 ' HA ' ' A' ' 166' ' ' LEU . 0.8 OUTLIER -68.0 -39.61 83.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.796 -179.868 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.742 ' HB2' HD22 ' A' ' 105' ' ' LEU . . . -69.98 -43.06 72.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.172 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.456 ' O ' HD23 ' A' ' 100' ' ' LEU . 1.7 mtmt -71.08 -33.0 69.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.993 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -66.05 -49.27 68.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.007 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.416 ' HD1' HD23 ' A' ' 94' ' ' LEU . 44.5 m95 -66.13 -35.55 80.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.976 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.78 -45.14 78.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.057 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.456 HD23 ' O ' ' A' ' 96' ' ' LYS . 4.0 mm? -63.46 -31.18 72.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.591 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -70.89 -39.23 72.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.757 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 137.58 -9.49 3.72 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.875 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.9 -164.26 1.09 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.856 0.36 . . . . 0.0 110.86 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.0 t -152.4 143.13 22.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.743 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.742 HD22 ' HB2' ' A' ' 95' ' ' ALA . 0.6 OUTLIER -84.21 120.43 26.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -127.81 128.07 44.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.722 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.7 mp -98.53 100.82 10.07 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.271 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.19 -179.75 4.25 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.495 2.13 . . . . 0.0 112.338 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.5 t -124.67 128.03 73.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.032 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 20.6 t -109.67 124.09 66.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.286 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 66.95 -66.84 0.18 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.093 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.42 38.88 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.752 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.53 160.3 34.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.679 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 3.7 mt -86.86 129.55 38.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.181 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 7.6 tt -76.91 103.05 6.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -58.47 159.22 6.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.969 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.814 HD22 HD22 ' A' ' 166' ' ' LEU . 16.3 mt -116.65 -59.78 1.93 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.424 ' CE2' ' HE3' ' A' ' 122' ' ' LYS . 14.5 t80 -57.08 -51.25 70.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.855 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.16 -42.39 99.42 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.078 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.797 ' O ' HG23 ' A' ' 124' ' ' VAL . 31.8 tp -69.04 -33.02 72.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.976 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 37.0 t -69.08 -35.89 77.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.029 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.424 ' HE3' ' CE2' ' A' ' 118' ' ' TYR . 3.2 mttm -67.77 -45.3 75.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.992 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.519 HG22 ' HE2' ' A' ' 127' ' ' LYS . 56.2 mt -58.83 -38.85 75.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.404 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 120' ' ' LEU . 22.7 t -64.93 -50.23 76.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.235 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.33 -44.52 95.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.313 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 59.9 p -56.79 -26.75 58.49 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.251 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.7 ' HD2' HG22 ' A' ' 133' ' ' VAL . 11.2 mttm -84.17 -26.36 28.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.996 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 156.38 -23.98 0.51 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.608 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.562 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 134.63 -49.43 0.9 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.529 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.452 ' CD2' ' CZ ' ' A' ' 167' ' ' TYR . 7.9 t80 -176.72 -53.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.94 0.4 . . . . 0.0 110.893 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -59.68 -42.26 92.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 16.8 mmt -61.02 -39.06 88.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.974 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.7 HG22 ' HD2' ' A' ' 127' ' ' LYS . 20.7 t -66.88 -46.86 84.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.063 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.8 m -69.96 -39.09 76.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.978 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -61.69 -31.79 71.94 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -103.0 -0.53 30.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.447 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp 59.71 30.81 20.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.893 0.378 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.651 ' O ' HG23 ' A' ' 142' ' ' VAL . 0.1 OUTLIER -72.79 -11.92 60.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.296 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 86.9 m95 -53.76 -39.72 65.59 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.851 0.358 . . . . 0.0 111.122 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 75.6 m -69.98 -33.03 71.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.95 -31.75 66.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 138' ' ' LYS . 24.7 t -67.69 -47.16 80.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.106 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -63.96 -40.09 97.93 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.534 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 3.1 m -62.7 -37.29 85.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.837 0.351 . . . . 0.0 110.891 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.05 -31.7 72.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -77.53 -58.47 3.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.949 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 166.23 42.4 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.536 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . 0.537 ' CE2' HD21 ' A' ' 158' ' ' LEU . 5.5 m-85 -110.53 133.94 52.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.368 . . . . 0.0 110.877 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 77.4 mt -87.75 150.56 48.47 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.65 93.13 0.6 Allowed 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.485 2.123 . . . . 0.0 112.329 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -117.49 176.87 16.37 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.557 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -65.29 101.43 0.56 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.814 0.34 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 76.5 129.15 0.33 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.471 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -161.53 -44.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 110.913 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -57.05 -37.32 78.78 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.544 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 2.5 m -67.24 -35.88 80.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.774 0.321 . . . . 0.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 3.1 mt -74.03 -46.06 45.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.769 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.537 HD21 ' CE2' ' A' ' 148' ' ' TYR . 6.1 mt -61.65 -44.98 95.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.66 -39.38 94.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 17.8 m -67.11 -46.13 75.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.068 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 26.7 m-70 -71.02 -38.8 72.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.015 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . 0.822 ' CD1' HD11 ' A' ' 166' ' ' LEU . 85.1 t80 -68.04 -34.93 77.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.027 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.429 ' HG3' ' CD2' ' A' ' 167' ' ' TYR . 29.7 tt0 -107.41 77.73 1.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.082 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . 0.525 ' HG3' HD12 ' A' ' 165' ' ' ILE . 10.0 ptp180 -169.13 -34.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.781 179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.525 HD12 ' HG3' ' A' ' 164' ' ' ARG . 1.5 mt -124.54 -55.39 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.822 HD11 ' CD1' ' A' ' 162' ' ' TYR . 0.6 OUTLIER -77.49 -36.48 52.66 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -178.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 167' ' ' TYR . . . . . 0.531 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 5.1 t80 -68.26 -55.97 11.59 Favored Pre-proline 0 C--N 1.329 -0.295 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 168' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 10.5 Cg_endo -54.84 -25.86 45.35 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.319 2.013 . . . . 0.0 112.389 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 169' ' ' TYR . . . . . 0.426 ' CD1' ' HG ' ' A' ' 94' ' ' LEU . 88.4 t80 -59.04 -53.16 61.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.821 0.344 . . . . 0.0 110.679 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.07 -50.18 75.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.821 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 0.41 HD22 ' N ' ' A' ' 171' ' ' LEU . 4.0 mm? -58.94 -33.94 71.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -57.35 -41.93 81.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.938 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -85.08 -40.55 16.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.056 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 2.5 m -97.85 31.39 2.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.979 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.404 -1.22 . . . . 0.0 112.584 -179.964 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 18.7 m . . . . . 0 N--CA 1.458 -0.045 0 CA-C-O 120.88 0.372 . . . . 0.0 111.262 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -50.04 70.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.45 -40.4 96.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -57.84 -42.53 84.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -59.8 -42.05 92.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.096 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.423 HD22 HD12 ' A' ' 117' ' ' LEU . 31.4 mt -66.81 -40.3 88.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -61.06 -42.45 98.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -62.82 -43.24 99.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.956 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.706 HD22 ' CD1' ' A' ' 105' ' ' LEU . 0.5 OUTLIER -67.91 -38.9 83.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.475 ' HB2' ' HB3' ' A' ' 105' ' ' LEU . . . -67.2 -43.96 80.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.213 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -64.91 -43.16 93.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.56 ' HA ' HD12 ' A' ' 100' ' ' LEU . 55.1 t80 -60.19 -49.01 79.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.054 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.565 ' HD1' HD23 ' A' ' 94' ' ' LEU . 29.5 m95 -65.74 -38.42 89.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.037 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -55.85 -43.16 76.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.036 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.56 HD12 ' HA ' ' A' ' 97' ' ' PHE . 5.3 mt -59.03 -28.54 66.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.702 179.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -78.95 -45.3 20.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.837 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.91 -16.36 1.2 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.795 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.03 -165.48 1.36 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.76 0.314 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.402 ' O ' HG23 ' A' ' 104' ' ' THR . 9.6 t -160.99 121.73 2.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.826 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.706 ' CD1' HD22 ' A' ' 94' ' ' LEU . 0.5 OUTLIER -64.4 118.53 8.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.05 109.96 12.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.502 ' H ' HD12 ' A' ' 107' ' ' ILE . 3.2 mp -69.29 111.63 9.26 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.205 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -76.92 165.62 28.15 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.455 2.104 . . . . 0.0 112.458 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 t -114.17 105.89 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.038 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.4 t -111.42 136.5 47.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.319 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 57.91 37.1 26.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.056 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.59 29.62 18.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.846 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.31 156.65 42.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.804 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 6.3 mt -71.71 140.53 18.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.041 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.476 HD11 HD23 ' A' ' 158' ' ' LEU . 2.8 tt -92.51 100.47 13.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -60.24 137.16 58.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.725 HD22 HD23 ' A' ' 166' ' ' LEU . 21.1 mt -102.07 -47.96 4.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -60.46 -51.31 70.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.79 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.91 -45.31 95.15 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.241 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.871 ' O ' HG23 ' A' ' 124' ' ' VAL . 13.6 tp -58.53 -33.02 69.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.053 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.3 t -67.99 -41.54 82.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.982 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -68.03 -43.04 79.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.035 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.956 HG21 HG13 ' A' ' 142' ' ' VAL . 10.7 mt -58.76 -49.12 83.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.303 -179.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.871 HG23 ' O ' ' A' ' 120' ' ' LEU . 20.1 t -59.34 -50.05 81.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.207 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.28 -43.99 83.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.278 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 51.5 p -56.85 -27.03 59.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.148 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -83.15 -26.26 31.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.832 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 155.52 -23.73 0.57 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.629 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.609 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 141.28 -56.87 0.59 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.47 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -179.24 -57.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.762 0.315 . . . . 0.0 110.815 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -60.1 -36.26 77.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.08 -39.3 89.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.737 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 15.8 t -66.99 -40.08 84.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.059 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.3 m -69.75 -43.69 71.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -61.79 -37.97 86.34 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -89.8 -17.3 28.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 67.4 39.34 2.96 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.802 0.335 . . . . 0.0 110.851 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 3.4 mmmt -96.04 19.56 11.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.128 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.411 ' CD1' ' HD2' ' A' ' 159' ' ' LYS . 63.3 m95 -67.1 -36.87 82.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.814 0.34 . . . . 0.0 110.881 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.08 -36.4 83.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.965 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.53 -38.5 91.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.769 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.956 HG13 HG21 ' A' ' 123' ' ' ILE . 32.4 t -60.37 -48.63 87.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.061 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -60.65 -36.21 91.11 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.432 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 12.7 m -63.17 -35.81 81.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.329 . . . . 0.0 110.976 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.93 -34.1 73.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.939 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 2.8 mt -72.28 -69.45 0.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.744 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 158.41 41.13 0.02 OUTLIER Glycine 0 N--CA 1.453 -0.196 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.49 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -112.2 113.72 26.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.703 0.287 . . . . 0.0 110.924 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 37.7 mt -59.76 117.76 25.86 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.823 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -55.94 -166.43 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.504 2.136 . . . . 0.0 112.289 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 134.85 -108.86 0.73 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.437 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -124.53 103.6 8.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.765 0.316 . . . . 0.0 110.868 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 102.37 -132.5 11.02 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.492 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 9.5 m 69.34 -63.62 0.37 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.765 0.317 . . . . 0.0 111.227 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -56.9 -34.01 64.63 Favored Glycine 0 C--N 1.329 0.168 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.54 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 39.8 m -65.39 -40.68 93.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.908 0.385 . . . . 0.0 110.77 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 2.3 mt -72.39 -32.12 66.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.476 HD23 HD11 ' A' ' 115' ' ' LEU . 23.4 mt -62.41 -44.87 95.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.931 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . 0.411 ' HD2' ' CD1' ' A' ' 139' ' ' TRP . 2.1 mtpt -60.97 -47.48 86.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 40.1 m -67.11 -46.01 75.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.977 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -64.8 -38.01 89.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.967 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . 0.797 ' CD1' HD11 ' A' ' 166' ' ' LEU . 80.2 t80 -70.03 -49.13 54.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.966 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.409 ' HA ' ' CB ' ' A' ' 167' ' ' TYR . 4.3 tm-20 -95.12 72.88 3.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 -164.93 -35.33 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.566 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.491 HG21 HD12 ' A' ' 105' ' ' LEU . 3.3 mt -121.76 -63.8 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -179.446 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.797 HD11 ' CD1' ' A' ' 162' ' ' TYR . 3.8 pp -71.03 -47.09 60.6 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -178.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 167' ' ' TYR . . . . . 0.688 ' N ' HD12 ' A' ' 166' ' ' LEU . 2.0 t80 -56.11 -56.06 35.03 Favored Pre-proline 0 C--N 1.329 -0.32 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -179.302 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 168' ' ' PRO . . . . . 0.693 ' HA ' HD12 ' A' ' 171' ' ' LEU . 18.5 Cg_endo -59.57 -25.99 80.61 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.279 1.986 . . . . 0.0 112.607 -179.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -57.37 -53.18 61.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.885 0.374 . . . . 0.0 110.877 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.34 -50.25 74.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.01 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 0.693 HD12 ' HA ' ' A' ' 168' ' ' PRO . 2.3 mt -59.88 -35.21 74.35 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.108 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -57.25 -40.89 78.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.056 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -84.98 -39.68 17.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.037 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 8.6 m -98.04 30.76 2.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.03 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.342 -1.254 . . . . 0.0 112.47 -179.916 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 31.5 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.753 0.311 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.87 -42.9 89.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 15.5 mt -61.66 -44.82 96.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.87 -42.08 83.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.005 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -58.98 -42.65 90.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.536 HD11 HD12 ' A' ' 117' ' ' LEU . 4.0 mm? -64.95 -32.89 74.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.68 -40.91 96.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -61.03 -43.6 98.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.555 HD13 HD12 ' A' ' 166' ' ' LEU . 0.3 OUTLIER -68.08 -41.28 82.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.408 ' CB ' ' HB3' ' A' ' 105' ' ' LEU . . . -68.09 -36.09 79.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.246 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 16.0 mmtm -75.04 -37.49 61.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.041 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -66.16 -48.98 68.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.103 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 43.9 m95 -64.91 -34.43 78.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.988 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.75 -45.08 78.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.889 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.2 mt -61.25 -27.95 68.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.647 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -79.61 -39.59 31.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.67 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 134.63 -6.64 4.53 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.844 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.4 m -92.35 -169.65 2.29 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.932 0.396 . . . . 0.0 110.927 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.5 t -150.87 117.02 5.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.986 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.584 ' C ' HD13 ' A' ' 105' ' ' LEU . 2.5 tm? -65.78 114.95 5.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.02 110.07 12.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 6.6 pt -73.93 110.85 10.18 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.084 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.41 149.28 68.93 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.46 2.107 . . . . 0.0 112.272 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.9 t -97.46 116.4 39.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.092 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 20.2 t -117.67 136.33 55.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.192 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 59.87 35.19 21.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 59.82 29.8 19.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.824 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.57 165.4 33.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 27.7 mt -74.95 138.47 20.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.21 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 8.1 tt -91.63 117.54 29.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.958 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.601 ' HB2' HD21 ' A' ' 146' ' ' LEU . 6.6 t0 -65.48 136.76 56.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.571 ' HB3' HD13 ' A' ' 166' ' ' LEU . 34.9 mt -109.24 -46.6 3.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.968 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -59.76 -51.19 70.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.083 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -59.9 -47.11 87.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.337 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.835 ' O ' HG23 ' A' ' 124' ' ' VAL . 40.6 tp -58.5 -34.61 71.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 37.7 t -63.67 -44.64 93.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.112 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -68.05 -40.86 82.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.142 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.997 HG21 HG13 ' A' ' 142' ' ' VAL . 13.8 mt -58.8 -44.97 91.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.447 -179.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.835 HG23 ' O ' ' A' ' 120' ' ' LEU . 21.7 t -60.37 -50.36 80.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.314 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.71 -47.05 87.01 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.44 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.2 p -56.89 -25.31 56.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.323 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -82.73 -25.93 32.42 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 157.91 -25.55 0.43 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.522 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.65 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 140.71 -60.22 0.56 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.497 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.432 ' CZ ' ' HD3' ' A' ' 159' ' ' LYS . 16.6 t80 -176.8 -58.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.891 0.377 . . . . 0.0 111.037 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -59.52 -41.63 90.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.06 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.4 ttm -60.92 -36.35 79.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.999 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.641 HG13 ' HB2' ' A' ' 138' ' ' LYS . 21.5 t -67.06 -44.76 87.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.202 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.7 m -70.04 -34.03 72.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 3.3 mmmt -61.75 -37.02 82.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.081 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -104.32 4.29 33.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.473 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 5.6 tptm 57.0 31.79 20.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.784 0.326 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.641 ' HB2' HG13 ' A' ' 133' ' ' VAL . 3.4 mtmt -69.28 -12.39 61.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.397 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.434 ' CD1' HG12 ' A' ' 133' ' ' VAL . 96.1 m95 -53.16 -34.42 56.78 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.74 0.305 . . . . 0.0 111.099 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 58.3 m -65.21 -37.51 87.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 10.9 mtmm -70.17 -32.51 70.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.813 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.997 HG13 HG21 ' A' ' 123' ' ' ILE . 21.7 t -59.46 -46.73 92.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.13 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -63.57 -40.92 99.2 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.494 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 4.6 m -59.92 -35.89 75.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.777 0.322 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 14.3 mtt180 -71.29 -33.98 70.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.866 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.601 HD21 ' HB2' ' A' ' 116' ' ' ASP . 0.2 OUTLIER -74.84 -67.47 0.64 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 171.01 40.09 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.42 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -112.98 159.74 18.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.784 0.326 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 18.5 mt -111.96 151.63 43.68 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.934 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.35 89.86 0.58 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.526 2.151 . . . . 0.0 112.241 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -103.27 -148.9 20.51 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.452 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 46.7 mmtt -90.4 -45.08 9.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.801 0.334 . . . . 0.0 110.86 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -141.44 100.12 0.26 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.546 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 4.3 m -137.88 -49.44 0.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.856 0.36 . . . . 0.0 110.925 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . 0.671 ' HA2' HD12 ' A' ' 158' ' ' LEU . . . -59.27 -33.93 77.81 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.5 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 1.5 m -65.62 -40.21 92.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.812 0.339 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 2.2 mp -68.47 -39.3 81.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.934 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.671 HD12 ' HA2' ' A' ' 155' ' ' GLY . 24.4 mt -59.99 -39.5 85.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.923 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . 0.432 ' HD3' ' CZ ' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -70.16 -40.85 74.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 47.9 m -66.93 -46.03 76.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -67.8 -44.64 76.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . 0.639 ' CE1' HD23 ' A' ' 166' ' ' LEU . 73.1 t80 -59.86 -43.63 94.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -99.77 73.83 1.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -167.97 -39.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.335 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.501 ' O ' HD21 ' A' ' 94' ' ' LEU . 1.5 mt -126.07 -38.06 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.696 -179.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.639 HD23 ' CE1' ' A' ' 162' ' ' TYR . 11.7 tp -85.92 -59.94 2.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.83 0.348 . . . . 0.0 111.504 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 167' ' ' TYR . . . . . 0.473 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 1.7 t80 -47.57 -46.91 60.6 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.871 -179.548 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 168' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 167' ' ' TYR . 52.2 Cg_exo -54.6 -31.5 70.5 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.231 1.954 . . . . 0.0 112.488 -179.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 169' ' ' TYR . . . . . 0.433 ' HB2' HD11 ' A' ' 94' ' ' LEU . 21.2 t80 -57.01 -53.17 61.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.084 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.99 -50.33 73.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.63 -33.96 74.85 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.036 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -58.04 -36.27 72.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.083 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -85.11 -43.74 13.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.027 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 6.2 m -97.1 30.85 2.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.447 -1.196 . . . . 0.0 112.45 179.997 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 28.6 m . . . . . 0 N--CA 1.456 -0.135 0 CA-C-O 120.863 0.363 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.418 ' O ' HD12 ' A' ' 91' ' ' LEU . 9.7 ttt180 -66.65 -48.46 69.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.74 -42.2 92.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.769 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.96 -38.66 76.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.02 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.42 ' CD2' ' CD2' ' A' ' 118' ' ' TYR . 47.9 t80 -60.52 -41.99 95.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.941 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.59 HD23 HD21 ' A' ' 105' ' ' LEU . 0.8 OUTLIER -65.66 -33.12 75.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.803 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -60.96 -43.66 98.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.87 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -68.35 -47.36 67.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.789 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.855 HD22 HD12 ' A' ' 105' ' ' LEU . 5.3 tt -62.56 -38.95 92.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.939 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.65 -46.08 66.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.43 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.98 -35.42 72.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.207 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -67.04 -49.05 66.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.154 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 36.3 m95 -66.05 -36.23 82.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.809 0.338 . . . . 0.0 111.001 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.65 -40.55 72.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.976 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.7 mt -59.04 -30.72 68.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.636 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -76.0 -44.39 39.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.693 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 146.02 -15.39 1.73 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.719 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.78 -161.77 0.89 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.691 0.281 . . . . 0.0 110.794 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.69 141.14 17.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.853 0.359 . . . . 0.0 110.788 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.855 HD12 HD22 ' A' ' 94' ' ' LEU . 0.9 OUTLIER -62.91 124.16 20.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.653 179.91 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.12 132.48 48.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.898 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.549 HD11 HD21 ' A' ' 105' ' ' LEU . 1.3 mp -114.08 81.75 6.5 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.212 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.67 149.2 32.99 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.446 2.097 . . . . 0.0 112.311 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 t -96.4 119.11 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.101 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 20.6 t -106.92 125.21 62.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.193 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 60.0 38.14 20.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.804 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 2.8 mtt85 60.15 31.58 20.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 18.1 mmtt -147.56 143.95 28.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 23.3 mt -78.34 123.12 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.042 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.4 HD13 ' OH ' ' A' ' 148' ' ' TYR . 45.9 tp -81.89 136.21 35.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.821 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -66.55 158.2 30.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.643 ' CA ' HD11 ' A' ' 166' ' ' LEU . 25.7 mt -114.38 -66.23 1.11 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.969 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.42 ' CD2' ' CD2' ' A' ' 90' ' ' PHE . 1.1 t80 -56.1 -51.01 69.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -58.39 -37.25 74.91 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.158 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.734 ' HA ' HD12 ' A' ' 123' ' ' ILE . 32.3 tp -65.06 -48.97 71.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.887 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 29.4 t -59.09 -34.99 72.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.966 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -66.84 -45.54 77.9 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.045 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.734 HD12 ' HA ' ' A' ' 120' ' ' LEU . 7.8 mt -58.81 -39.23 76.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.183 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.702 HG21 ' CE2' ' A' ' 162' ' ' TYR . 30.6 t -60.24 -50.2 81.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.143 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -56.9 -44.82 82.74 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.267 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 52.2 p -56.84 -21.9 32.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.445 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.822 ' HB2' HG22 ' A' ' 133' ' ' VAL . 24.1 mmtt -86.23 -31.43 21.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.856 0.36 . . . . 0.0 110.697 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 143.88 40.57 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.63 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.564 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 86.51 -66.98 3.54 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.761 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.409 ' CZ ' ' HD3' ' A' ' 159' ' ' LYS . 8.0 t80 -176.27 -53.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.718 0.294 . . . . 0.0 111.056 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -56.79 -42.38 79.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.178 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 10.6 mmt -60.96 -33.71 73.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.822 HG22 ' HB2' ' A' ' 127' ' ' LYS . 21.1 t -61.4 -47.7 92.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.084 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 7.2 m -68.42 -45.2 73.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.797 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.72 -31.94 72.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -93.65 -17.26 23.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.175 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp 67.88 36.51 3.43 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.824 0.345 . . . . 0.0 110.816 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.538 ' O ' HG23 ' A' ' 142' ' ' VAL . 13.6 mmtm -87.95 -1.75 58.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.392 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.489 ' CD1' HG12 ' A' ' 133' ' ' VAL . 71.0 m95 -59.12 -38.0 78.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.848 0.356 . . . . 0.0 110.838 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.7 m -63.98 -36.84 85.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 27.2 mttm -68.27 -32.34 72.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.941 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.575 HG13 HG21 ' A' ' 123' ' ' ILE . 21.6 t -65.75 -42.42 92.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -68.91 -41.87 80.61 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.573 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 13.9 m -60.32 -36.48 78.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.894 0.378 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.55 -31.63 71.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.849 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 146' ' ' LEU . 1.7 mm? -67.07 -60.74 2.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.777 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 154.93 56.42 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.519 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . 0.686 ' CZ ' HD21 ' A' ' 158' ' ' LEU . 4.9 m-85 -109.23 118.89 37.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.849 0.357 . . . . 0.0 110.865 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 20.6 mt -63.7 130.29 94.29 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.831 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.16 162.02 3.17 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.491 2.127 . . . . 0.0 112.252 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 140.87 -92.58 0.18 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.504 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.88 171.86 8.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.79 0.328 . . . . 0.0 110.977 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -81.2 126.8 7.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.514 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . 0.705 HG23 HD12 ' A' ' 157' ' ' LEU . 0.9 OUTLIER -129.57 12.61 5.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.682 0.277 . . . . 0.0 111.314 179.906 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . 0.696 ' HA2' HD12 ' A' ' 158' ' ' LEU . . . -74.99 -42.03 30.9 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.49 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 43.6 m -65.16 -31.76 73.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.79 0.328 . . . . 0.0 110.939 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 0.705 HD12 HG23 ' A' ' 154' ' ' THR . 75.3 mt -67.11 -43.46 82.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.696 HD12 ' HA2' ' A' ' 155' ' ' GLY . 5.0 mt -59.23 -43.38 92.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.962 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . 0.409 ' HD3' ' CZ ' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -60.15 -36.11 76.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 3.1 m -66.96 -45.33 78.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.007 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -66.82 -47.9 70.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . 0.702 ' CE2' HG21 ' A' ' 124' ' ' VAL . 20.6 t80 -59.43 -49.01 79.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.812 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -89.79 68.65 7.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.709 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -163.63 -40.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.035 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.633 HG22 HD21 ' A' ' 94' ' ' LEU . 2.7 mp -135.29 -43.04 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.47 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.643 HD11 ' CA ' ' A' ' 117' ' ' LEU . 0.6 OUTLIER -71.37 -60.59 2.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.348 -179.599 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 167' ' ' TYR . . . . . 0.534 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 1.9 t80 -56.56 -56.16 35.13 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.745 -179.579 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 168' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 10.8 Cg_endo -55.01 -29.52 65.28 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.254 1.969 . . . . 0.0 112.546 -179.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 169' ' ' TYR . . . . . 0.853 ' CD2' HD12 ' A' ' 94' ' ' LEU . 19.3 t80 -58.82 -53.05 62.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.912 0.387 . . . . 0.0 110.813 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.49 -50.32 74.17 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 168' ' ' PRO . 5.9 mt -58.37 -36.87 74.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.011 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -57.98 -34.98 70.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -77.59 -44.0 29.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.971 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 44.4 m -100.5 30.43 3.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.971 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.361 -1.244 . . . . 0.0 112.448 -179.873 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 28.5 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.824 0.345 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -65.97 -40.83 91.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.547 HD13 ' O ' ' A' ' 88' ' ' LEU . 0.3 OUTLIER -67.0 -46.21 75.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.892 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -58.84 -43.14 90.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -61.58 -48.14 82.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.08 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.475 HD22 HD21 ' A' ' 105' ' ' LEU . 23.0 mt -59.98 -32.95 71.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.951 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.08 -46.39 89.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -64.31 -47.95 77.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.978 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.899 HD22 HD12 ' A' ' 105' ' ' LEU . 1.0 OUTLIER -67.97 -40.16 83.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.995 -179.859 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.82 -36.58 75.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.224 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -75.07 -39.06 61.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.063 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -62.11 -49.11 77.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.139 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.549 ' HD1' HD23 ' A' ' 94' ' ' LEU . 44.5 m95 -65.94 -35.42 80.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.951 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -55.91 -44.97 78.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.13 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 82.8 mt -60.9 -30.64 70.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.728 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -72.4 -41.59 66.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.799 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 141.63 -12.4 2.69 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.781 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.4 m -98.83 -163.34 1.03 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.725 0.262 . . . . 0.0 111.035 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.3 m -156.37 130.37 8.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.892 0.377 . . . . 0.0 110.894 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.899 HD12 HD22 ' A' ' 94' ' ' LEU . 5.0 tt -62.96 123.95 19.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.835 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -124.39 132.1 53.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.975 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.1 mp -101.77 92.25 2.78 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.108 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.18 169.62 14.88 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.534 2.156 . . . . 0.0 112.275 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.5 t -110.96 121.5 63.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.185 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.3 t -106.87 120.93 58.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 60.93 36.97 18.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.821 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.98 30.52 18.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.841 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 19.0 tttm -145.25 151.12 37.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.961 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 26.1 mt -74.83 125.19 34.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.33 125.83 32.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.019 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -59.67 156.23 14.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.795 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.563 ' HB3' HD11 ' A' ' 166' ' ' LEU . 1.0 OUTLIER -118.31 -66.1 1.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.037 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -55.9 -51.2 68.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.47 -38.0 82.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.199 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.78 ' HA ' HD12 ' A' ' 123' ' ' ILE . 26.4 tp -62.53 -37.11 84.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.067 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 9.4 t -66.72 -38.79 87.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.072 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -67.63 -41.58 83.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.921 HG21 HG13 ' A' ' 142' ' ' VAL . 12.7 mt -58.84 -43.49 88.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.37 -179.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 120' ' ' LEU . 17.4 t -58.91 -50.04 80.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.713 0.292 . . . . 0.0 111.073 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.06 -46.91 82.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.406 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 38.2 p -56.79 -21.05 25.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.574 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.641 ' CB ' HG22 ' A' ' 133' ' ' VAL . 40.2 mmtt -88.43 -40.62 13.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.926 0.393 . . . . 0.0 110.853 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 155.55 42.72 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.504 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.655 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 82.88 -65.75 4.07 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.597 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -179.61 -57.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.823 0.344 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -56.93 -31.18 64.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.999 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 37.9 tpp -66.26 -36.82 83.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.641 HG22 ' CB ' ' A' ' 127' ' ' LYS . 18.7 t -66.97 -41.8 87.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.159 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 5.3 m -69.73 -44.44 70.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.993 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 13.5 mmtp -61.64 -37.79 85.32 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.04 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -92.8 -12.87 30.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.291 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 5.4 tttt 65.65 36.28 6.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.76 0.314 . . . . 0.0 110.802 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -81.88 -1.18 46.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.421 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.447 ' CE2' ' HG2' ' A' ' 159' ' ' LYS . 88.3 m95 -58.54 -34.88 71.5 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.845 0.355 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 68.9 m -60.62 -35.63 76.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -72.08 -33.91 68.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.921 HG13 HG21 ' A' ' 123' ' ' ILE . 21.7 t -59.6 -47.16 92.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -64.09 -39.12 96.89 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.449 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 37.4 m -59.42 -40.5 86.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.876 0.369 . . . . 0.0 110.996 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 30.3 mtt85 -62.71 -31.14 72.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 7.8 mt -79.53 -55.67 4.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.967 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 157.2 50.73 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.476 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . 0.671 ' CZ ' HD21 ' A' ' 158' ' ' LEU . 4.9 m-85 -112.4 146.02 39.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.747 0.308 . . . . 0.0 110.968 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 8.5 mt -109.07 137.78 20.23 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.87 115.72 2.53 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.552 2.168 . . . . 0.0 112.318 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -135.86 -126.26 2.56 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.457 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -80.28 -28.87 38.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.811 0.339 . . . . 0.0 110.936 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 169.71 -87.59 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.583 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . 0.412 ' HA ' HD13 ' A' ' 157' ' ' LEU . 10.0 m 72.48 4.62 5.05 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 111.574 0.212 . . . . 0.0 111.574 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -75.26 -42.08 29.39 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.514 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 18.1 m -63.88 -35.85 81.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.704 0.288 . . . . 0.0 110.934 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' A' ' 154' ' ' THR . 3.6 mp -63.95 -46.01 86.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.914 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.671 HD21 ' CZ ' ' A' ' 148' ' ' TYR . 79.7 mt -67.36 -40.67 85.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.957 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . 0.447 ' HG2' ' CE2' ' A' ' 139' ' ' TRP . 0.0 OUTLIER -70.38 -43.79 69.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 41.8 m -66.96 -42.25 85.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.056 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -63.89 -37.26 86.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.219 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . 0.518 ' CZ ' HG21 ' A' ' 124' ' ' VAL . 80.1 t80 -73.06 -41.33 64.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -99.12 73.15 1.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.018 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 1.2 ttt85 -167.81 -40.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.188 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.711 ' O ' HD21 ' A' ' 94' ' ' LEU . 1.5 mp -126.58 -36.72 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.68 -179.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.68 ' HA ' HD11 ' A' ' 94' ' ' LEU . 0.5 OUTLIER -87.33 -62.02 1.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.348 . . . . 0.0 111.54 -179.404 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 167' ' ' TYR . . . . . 0.552 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 2.0 t80 -50.16 -55.04 27.59 Favored Pre-proline 0 C--N 1.329 -0.298 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -179.367 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 168' ' ' PRO . . . . . 0.552 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 10.4 Cg_endo -54.67 -25.96 44.33 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.308 2.005 . . . . 0.0 112.75 -179.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 169' ' ' TYR . . . . . 0.431 ' CG ' ' HG ' ' A' ' 94' ' ' LEU . 25.4 t80 -60.13 -53.22 60.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.876 0.37 . . . . 0.0 110.805 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -58.58 -50.15 74.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.966 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 17.3 mt -57.81 -34.48 69.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.995 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -59.1 -38.43 79.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -84.79 -42.71 14.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.018 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 12.8 m -97.9 31.2 2.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.032 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.087 0 CA-C-O 118.324 -1.265 . . . . 0.0 112.428 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 14.0 m . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.818 0.342 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.6 mtt180 -67.08 -49.77 63.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.4 mp -65.43 -43.71 89.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.8 -43.12 85.44 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -60.28 -50.08 75.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.932 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.442 ' CD2' HD12 ' A' ' 117' ' ' LEU . 5.8 mt -60.46 -32.81 71.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.83 -47.12 87.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.992 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -64.47 -36.37 83.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.96 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.696 HD12 ' CD2' ' A' ' 169' ' ' TYR . 2.7 tp -62.71 -51.1 68.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.086 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.2 -44.74 68.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.476 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.539 ' O ' HD12 ' A' ' 100' ' ' LEU . 3.6 mtpt -65.07 -45.05 86.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.31 -179.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -59.26 -49.09 79.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.147 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.444 ' CD1' HD12 ' A' ' 105' ' ' LEU . 38.1 m95 -66.04 -32.94 74.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.934 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -55.76 -37.93 69.17 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.083 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.539 HD12 ' O ' ' A' ' 96' ' ' LYS . 0.8 OUTLIER -58.97 -36.95 75.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -68.95 -43.03 75.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 112.02 23.5 5.52 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.53 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.7 -28.29 14.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.788 0.328 . . . . 0.0 110.956 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 7.8 m 65.3 99.73 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.849 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.444 HD12 ' CD1' ' A' ' 98' ' ' TRP . 0.3 OUTLIER -68.0 122.75 18.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.064 -179.892 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -128.03 109.87 11.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.704 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 2.6 mp -57.94 108.79 1.4 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.318 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -71.98 142.21 38.17 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.363 2.042 . . . . 0.0 112.349 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 t -93.67 128.94 44.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.98 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.702 HG21 HD12 ' A' ' 115' ' ' LEU . 20.3 t -129.1 127.97 66.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.13 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 59.58 35.57 22.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 25.0 mtt180 61.27 31.09 19.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.65 153.91 38.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.883 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 31.0 mm -71.66 133.99 30.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.064 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.702 HD12 HG21 ' A' ' 110' ' ' VAL . 6.7 tt -88.56 108.56 19.48 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.62 ' O ' HD23 ' A' ' 115' ' ' LEU . 6.3 t70 -59.67 145.77 43.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.857 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.526 HD13 HD22 ' A' ' 94' ' ' LEU . 90.3 mt -106.66 -57.18 2.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.928 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -54.88 -51.19 66.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.991 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -58.34 -46.82 85.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.39 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.585 ' O ' HG23 ' A' ' 124' ' ' VAL . 58.4 tp -64.45 -41.95 96.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.177 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.0 t -58.02 -37.73 74.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.136 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 15.5 mtpt -68.04 -43.46 78.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.16 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 54.3 mt -58.79 -43.64 88.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.491 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.955 HG21 ' CE2' ' A' ' 162' ' ' TYR . 21.4 t -58.19 -50.16 79.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.297 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.32 -47.09 86.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 19.3 p -57.79 -20.97 39.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.476 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.663 ' CB ' HG22 ' A' ' 133' ' ' VAL . 6.4 mttp -87.2 -33.48 19.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.99 0.424 . . . . 0.0 110.882 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 146.27 41.83 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.528 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.718 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 84.55 -66.03 3.96 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.744 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.446 ' CZ ' ' HD3' ' A' ' 159' ' ' LYS . 10.3 t80 -177.48 -55.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.868 0.366 . . . . 0.0 111.042 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -56.78 -31.38 64.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.097 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.9 mtp -64.35 -38.24 90.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.692 HG13 ' HB2' ' A' ' 138' ' ' LYS . 22.0 t -66.97 -43.52 89.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.88 -42.22 73.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.984 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -61.79 -30.67 70.96 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.05 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -103.75 -3.84 24.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.405 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 8.2 tttp 61.57 36.1 17.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.853 0.359 . . . . 0.0 110.755 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.692 ' HB2' HG13 ' A' ' 133' ' ' VAL . 15.2 mmtt -76.48 -9.86 58.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.434 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 86.5 m95 -53.98 -35.99 62.43 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.893 0.378 . . . . 0.0 111.003 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 19.6 m -66.94 -33.06 74.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.741 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.97 -32.36 67.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 22.9 t -61.91 -46.9 95.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.104 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -61.96 -43.64 98.9 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.58 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 58.5 m -58.94 -39.79 82.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.817 0.342 . . . . 0.0 110.962 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -72.0 -34.09 68.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.019 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.833 HD22 ' CE2' ' A' ' 148' ' ' TYR . 0.2 OUTLIER -69.15 -29.36 67.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.973 -179.89 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 114.36 20.47 5.87 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.733 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . 0.833 ' CE2' HD22 ' A' ' 146' ' ' LEU . 69.9 m-85 -78.39 123.13 26.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.72 0.295 . . . . 0.0 110.802 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 54.8 mt -56.67 148.84 44.55 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.018 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -69.1 136.54 35.02 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.573 2.182 . . . . 0.0 112.339 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 172.43 -169.71 42.81 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.432 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -74.39 155.41 38.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.747 0.308 . . . . 0.0 110.938 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 61.82 -122.41 28.72 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.465 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 24.9 m 67.42 -70.06 0.12 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.646 0.26 . . . . 0.0 110.957 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . 0.537 ' HA2' HD12 ' A' ' 158' ' ' LEU . . . -63.51 -36.03 92.82 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.502 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 12.2 m -67.37 -40.34 85.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.786 0.327 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 8.1 mp -70.45 -36.8 74.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.537 HD12 ' HA2' ' A' ' 155' ' ' GLY . 11.4 mt -62.77 -38.01 88.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.81 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . 0.446 ' HD3' ' CZ ' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -67.71 -41.77 83.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 16.5 m -67.05 -45.89 76.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 -64.08 -47.65 79.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.831 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . 0.955 ' CE2' HG21 ' A' ' 124' ' ' VAL . 14.6 t80 -59.28 -41.77 89.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -94.31 43.85 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.815 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.1 -42.75 1.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 1.8 mp -134.13 -44.54 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.268 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.572 HD13 ' CD1' ' A' ' 162' ' ' TYR . 1.8 tt -63.13 -65.36 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.51 -179.49 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 167' ' ' TYR . . . . . 0.556 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 3.6 t80 -55.08 -55.05 43.42 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.886 -179.403 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 168' ' ' PRO . . . . . 0.562 ' HA ' HD12 ' A' ' 171' ' ' LEU . 10.5 Cg_endo -54.87 -25.74 44.97 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.334 2.023 . . . . 0.0 112.635 -179.355 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 169' ' ' TYR . . . . . 0.696 ' CD2' HD12 ' A' ' 94' ' ' LEU . 49.0 t80 -56.86 -53.14 61.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.895 0.378 . . . . 0.0 110.83 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -56.86 -50.14 73.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.974 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 0.562 HD12 ' HA ' ' A' ' 168' ' ' PRO . 13.4 mt -55.96 -38.63 70.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.112 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -58.71 -37.64 76.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.959 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -85.14 -42.67 14.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.982 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 58.4 m -97.72 31.02 2.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.06 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.372 -1.238 . . . . 0.0 112.541 179.883 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 30.5 m . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.78 0.324 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.6 -44.08 97.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.963 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.82 -43.64 92.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -57.94 -42.99 86.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.086 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -63.03 -43.08 99.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.8 tp -60.14 -32.85 71.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.75 -45.6 81.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.026 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -71.41 -33.25 69.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.908 HD12 ' CD2' ' A' ' 169' ' ' TYR . 11.6 tp -66.91 -51.07 59.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.527 ' HB2' HD22 ' A' ' 105' ' ' LEU . . . -69.96 -37.01 75.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.324 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp -67.08 -40.99 87.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -64.65 -49.14 72.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.147 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 64.0 m95 -65.81 -34.2 77.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.103 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -56.03 -42.38 76.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.057 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 38.3 mt -59.24 -39.0 81.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.825 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.14 -44.81 94.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.808 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 114.88 23.19 4.72 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.334 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.521 ' C ' HG23 ' A' ' 104' ' ' THR . 0.1 OUTLIER -107.79 -21.1 12.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.668 0.27 . . . . 0.0 111.019 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.521 HG23 ' C ' ' A' ' 103' ' ' SER . 0.1 OUTLIER 60.41 126.71 0.01 OUTLIER 'General case' 0 N--CA 1.456 -0.162 0 CA-C-O 121.0 0.429 . . . . 0.0 111.101 179.687 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.662 HD11 HD23 ' A' ' 94' ' ' LEU . 6.2 tt -83.31 132.79 35.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.999 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.403 ' O ' ' HD3' ' A' ' 108' ' ' PRO . 6.4 mttt -123.81 132.26 53.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.746 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 18.8 mt -96.75 100.22 6.94 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.238 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 106' ' ' LYS . 60.0 Cg_endo -71.92 173.08 13.34 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.533 2.156 . . . . 0.0 112.356 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 t -125.0 111.64 28.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.97 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.694 HG12 ' HG2' ' A' ' 111' ' ' GLU . 21.2 t -106.91 131.16 57.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.195 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.694 ' HG2' HG12 ' A' ' 110' ' ' VAL . 68.7 mm-40 60.72 35.42 19.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.809 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.9 33.11 21.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.808 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -156.12 163.59 39.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.942 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 4.5 mt -73.67 127.03 35.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.531 HD11 ' CD2' ' A' ' 158' ' ' LEU . 0.6 OUTLIER -82.92 131.66 35.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.559 ' HB2' HD21 ' A' ' 146' ' ' LEU . 5.6 t70 -64.24 168.85 5.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.502 HD22 HD23 ' A' ' 166' ' ' LEU . 10.7 mt -141.3 -58.88 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.918 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -58.86 -51.29 70.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.766 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.434 ' HB3' ' OD1' ' A' ' 116' ' ' ASP . . . -63.76 -39.21 93.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.348 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.791 ' O ' HG23 ' A' ' 124' ' ' VAL . 50.6 tp -63.49 -41.62 98.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.104 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.9 t -57.92 -40.43 80.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.032 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -67.97 -43.94 77.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.998 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 1.029 HG21 HG13 ' A' ' 142' ' ' VAL . 12.7 mt -58.85 -42.7 86.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.305 -179.7 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.791 HG23 ' O ' ' A' ' 120' ' ' LEU . 19.9 t -58.67 -50.09 80.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.204 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.61 -44.43 85.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.239 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 20.0 p -56.84 -27.52 60.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.183 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.509 ' HB2' HG22 ' A' ' 133' ' ' VAL . 24.3 mmtt -82.73 -26.97 31.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.806 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 157.64 -24.85 0.43 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.694 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.608 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 140.98 -57.94 0.58 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.421 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.435 ' CZ ' ' HD3' ' A' ' 159' ' ' LYS . 51.6 t80 -178.51 -56.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.895 0.379 . . . . 0.0 110.892 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -65.26 -39.94 93.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 9.8 tpt -60.94 -33.45 73.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.63 HG12 ' CD1' ' A' ' 139' ' ' TRP . 13.7 t -67.0 -39.86 84.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.09 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.605 HG23 ' HE3' ' A' ' 159' ' ' LYS . 0.6 OUTLIER -67.12 -46.07 75.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.953 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -61.87 -37.97 86.55 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.0 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -85.94 -21.52 27.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.101 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 8.5 tttp 65.49 37.65 5.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.839 0.352 . . . . 0.0 110.85 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.544 ' O ' HG23 ' A' ' 142' ' ' VAL . 22.5 mtpp -89.88 9.66 26.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.322 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.63 ' CD1' HG12 ' A' ' 133' ' ' VAL . 89.8 m95 -65.69 -35.25 80.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.803 0.335 . . . . 0.0 110.741 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.1 m -63.05 -34.22 77.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.774 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.85 -37.31 70.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.73 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 1.029 HG13 HG21 ' A' ' 123' ' ' ILE . 24.5 t -59.85 -44.04 93.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.126 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -64.29 -41.86 98.05 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 9.6 m -60.13 -35.96 76.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.774 0.321 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 20.7 mtt85 -64.44 -32.38 73.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.559 HD21 ' HB2' ' A' ' 116' ' ' ASP . 0.1 OUTLIER -75.53 -70.65 0.41 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 163.02 42.2 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.564 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -105.85 125.12 50.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.85 0.357 . . . . 0.0 110.826 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.5 mp -69.53 142.39 91.73 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.09 168.41 0.54 Allowed 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.513 2.142 . . . . 0.0 112.223 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 158.7 -162.96 32.86 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.515 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -100.8 127.03 47.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.836 0.35 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 68.57 92.31 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.524 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 6.0 m -140.72 -56.38 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.805 0.336 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -59.0 -34.31 78.35 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.483 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 1.2 m -73.14 -31.29 64.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.756 0.312 . . . . 0.0 110.842 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . 0.461 ' N ' HD22 ' A' ' 157' ' ' LEU . 3.8 mm? -69.07 -39.93 78.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.849 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.531 ' CD2' HD11 ' A' ' 115' ' ' LEU . 13.1 mt -67.49 -35.49 79.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . 0.605 ' HE3' HG23 ' A' ' 134' ' ' THR . 0.1 OUTLIER -66.19 -42.95 88.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 4.3 m -66.93 -44.26 81.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 -69.47 -44.3 71.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . 0.432 ' CE2' HG21 ' A' ' 124' ' ' VAL . 45.8 t80 -58.92 -48.52 81.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -91.11 62.39 4.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.827 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.21 -51.14 0.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.021 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.457 HG22 ' O ' ' A' ' 165' ' ' ILE . 2.1 mp -127.22 -1.21 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.774 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.502 HD23 HD22 ' A' ' 117' ' ' LEU . 0.9 OUTLIER -116.78 -58.91 2.02 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.83 0.348 . . . . 0.0 111.131 -179.848 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 167' ' ' TYR . . . . . 0.464 ' HB3' ' HD3' ' A' ' 168' ' ' PRO . 2.7 t80 -59.82 -48.86 94.05 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.22 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 168' ' ' PRO . . . . . 0.575 ' HA ' HD12 ' A' ' 171' ' ' LEU . 38.7 Cg_exo -60.14 -25.86 81.02 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.353 2.035 . . . . 0.0 112.36 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 169' ' ' TYR . . . . . 0.908 ' CD2' HD12 ' A' ' 94' ' ' LEU . 51.8 t80 -56.56 -53.28 59.45 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 120.785 0.326 . . . . 0.0 110.825 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -56.88 -50.12 73.46 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.03 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 0.575 HD12 ' HA ' ' A' ' 168' ' ' PRO . 2.1 mt -58.15 -33.88 69.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -64.66 -32.95 74.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -67.39 -44.14 79.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 1.9 m 178.56 39.5 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.81 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.376 -1.235 . . . . 0.0 112.528 -179.962 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.401 HG23 ' N ' ' A' ' 87' ' ' ARG . 27.1 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.801 0.334 . . . . 0.0 111.096 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.401 ' N ' HG23 ' A' ' 86' ' ' VAL . 3.3 mtp180 -61.61 -50.04 74.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.8 mp -66.57 -42.68 86.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -57.86 -41.77 83.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -58.19 -50.03 74.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.079 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.5 mp -65.14 -33.11 75.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.969 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -63.71 -39.03 93.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -66.85 -47.97 70.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.938 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.449 HD11 ' O ' ' A' ' 165' ' ' ILE . 26.0 tp -57.28 -44.43 84.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.982 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.403 ' HA ' ' CB ' ' A' ' 105' ' ' LEU . . . -70.0 -37.72 75.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.462 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.586 ' O ' HD12 ' A' ' 100' ' ' LEU . 20.6 mtpp -74.91 -33.16 61.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.233 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -65.01 -49.55 69.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.211 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 68.4 m95 -66.43 -32.72 74.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.97 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -55.59 -43.12 75.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.912 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.586 HD12 ' O ' ' A' ' 96' ' ' LYS . 0.4 OUTLIER -66.38 -31.19 71.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.58 179.572 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 57.0 mm-40 -69.78 -37.87 76.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.82 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 118.42 20.09 4.42 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.483 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.2 t -100.28 -154.53 0.48 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.556 0.217 . . . . 0.0 110.689 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.4 t -154.82 94.5 1.67 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.832 0.349 . . . . 0.0 110.642 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.425 HD13 ' N ' ' A' ' 106' ' ' LYS . 0.3 OUTLIER -62.95 113.6 3.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 -179.89 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.425 ' N ' HD13 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -128.23 119.58 25.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.741 179.828 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 32.5 mt -71.02 111.71 10.85 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.185 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -78.97 162.14 26.48 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.415 2.077 . . . . 0.0 112.372 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 t -112.37 118.0 56.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.971 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.5 HG12 ' HG2' ' A' ' 111' ' ' GLU . 21.4 t -107.68 125.71 64.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.301 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.5 ' HG2' HG12 ' A' ' 110' ' ' VAL . 10.6 mm-40 58.55 39.74 24.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.985 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 43.4 mtm-85 59.28 30.3 20.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.6 mmtm -144.66 157.66 44.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.946 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 31.0 mt -77.93 133.37 30.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.101 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.403 HD12 ' CD2' ' A' ' 158' ' ' LEU . 7.2 tt -94.94 128.56 41.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -77.47 153.77 33.19 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.801 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.748 ' HA ' HD11 ' A' ' 166' ' ' LEU . 5.6 mp -108.64 -58.32 2.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.906 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -55.5 -51.15 67.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -58.48 -45.59 88.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.316 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.827 ' HA ' HD12 ' A' ' 123' ' ' ILE . 35.7 tp -63.81 -38.44 91.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.161 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.9 t -59.31 -40.99 88.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.137 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 9.0 mtmp? -67.97 -40.09 83.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.186 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 1.063 HG21 HG13 ' A' ' 142' ' ' VAL . 27.9 mt -58.68 -42.23 84.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.471 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.79 HG21 ' CZ ' ' A' ' 162' ' ' TYR . 19.1 t -59.72 -50.32 80.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.145 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.3 -44.47 94.91 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 83.7 p -56.83 -24.63 52.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.224 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.687 ' CB ' HG22 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -82.84 -23.58 33.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.864 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 149.28 -20.4 1.21 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.571 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.772 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 148.31 -63.77 0.42 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.331 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.401 ' CZ ' ' HG3' ' A' ' 163' ' ' GLU . 55.3 t80 179.36 -60.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.774 0.321 . . . . 0.0 110.762 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.95 -39.04 80.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.965 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -36.98 80.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.909 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.687 HG22 ' CB ' ' A' ' 127' ' ' LYS . 18.9 t -63.82 -41.93 94.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.136 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 6.8 m -69.91 -43.45 71.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -61.76 -36.68 81.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.959 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -89.87 -11.9 40.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.241 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 8.7 mtpt 63.51 31.87 14.57 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.831 0.348 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -79.29 -5.24 53.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.316 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.448 ' CE2' ' HG3' ' A' ' 159' ' ' LYS . 95.1 m95 -56.31 -31.97 64.18 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.725 0.298 . . . . 0.0 110.896 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 37.2 m -61.6 -39.05 89.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.818 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -71.87 -31.35 66.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.816 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 1.063 HG13 HG21 ' A' ' 123' ' ' ILE . 28.4 t -59.64 -45.86 93.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.1 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -68.66 -37.38 84.67 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.579 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 67.9 m -66.05 -36.03 82.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.825 0.345 . . . . 0.0 110.854 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 68.5 mtt180 -64.17 -31.51 72.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 5.7 mt -67.45 -69.21 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 155.55 55.33 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.507 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -104.67 159.32 15.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.816 0.341 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 75.1 mt -78.07 156.87 79.2 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.38 114.39 3.44 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.53 2.153 . . . . 0.0 112.208 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -136.67 -149.72 5.71 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.512 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 19.1 mtpt -105.77 -62.87 1.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.357 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -112.93 133.01 11.05 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.557 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 1.4 m -151.42 -46.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.337 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -58.48 -38.21 90.37 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.532 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 68.0 m -67.91 -31.51 71.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.793 0.33 . . . . 0.0 110.814 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 7.3 mp -70.87 -45.85 63.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.403 ' CD2' HD12 ' A' ' 115' ' ' LEU . 15.0 mt -63.78 -33.65 76.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . 0.448 ' HG3' ' CE2' ' A' ' 139' ' ' TRP . 0.1 OUTLIER -62.94 -40.7 98.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 45.3 m -64.49 -45.95 85.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.96 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -67.2 -45.71 76.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.948 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . 0.79 ' CZ ' HG21 ' A' ' 124' ' ' VAL . 56.2 t80 -59.31 -47.22 86.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.818 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.401 ' HG3' ' CZ ' ' A' ' 130' ' ' PHE . 0.5 OUTLIER -89.81 53.94 2.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.69 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -151.66 -43.34 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.093 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.449 ' O ' HD11 ' A' ' 94' ' ' LEU . 3.2 mt -127.72 -35.93 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.687 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.748 HD11 ' HA ' ' A' ' 117' ' ' LEU . 0.3 OUTLIER -79.4 -67.56 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.656 -179.431 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 167' ' ' TYR . . . . . 0.457 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 1.7 t80 -46.03 -47.03 43.14 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.294 -0.412 . . . . 0.0 112.05 -179.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 168' ' ' PRO . . . . . 0.457 ' CD ' ' N ' ' A' ' 167' ' ' TYR . 51.3 Cg_exo -54.55 -36.99 90.42 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.396 2.064 . . . . 0.0 112.505 -179.532 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -56.86 -53.08 61.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.973 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -58.48 -50.26 74.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.073 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 51.5 mt -60.5 -34.86 74.68 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -58.39 -38.45 77.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.943 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -84.95 -41.98 15.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.058 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 60.1 m -97.99 30.88 2.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.047 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.293 -1.282 . . . . 0.0 112.5 179.961 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 31.3 m . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.819 0.342 . . . . 0.0 111.272 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.97 -45.41 85.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.965 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.7 mt -59.49 -46.04 89.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.96 -42.89 85.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.063 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -58.5 -44.41 89.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.009 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.554 HD11 ' CD1' ' A' ' 117' ' ' LEU . 3.9 mm? -59.93 -33.12 71.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.03 -41.74 86.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.911 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -67.17 -43.5 82.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.045 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.658 HD21 ' O ' ' A' ' 165' ' ' ILE . 12.8 tp -61.16 -47.14 87.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.116 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.06 -36.67 75.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.377 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -75.03 -44.97 44.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.234 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -61.39 -49.09 78.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.054 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 40.1 m95 -66.0 -32.79 74.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.027 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.63 -40.65 72.46 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.018 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 37.6 mt -62.81 -29.58 70.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.704 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -72.9 -39.38 66.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.941 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 108.08 23.27 6.8 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.592 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.85 -30.02 7.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.698 0.285 . . . . 0.0 110.962 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.7 m 64.3 130.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.845 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.626 HD12 ' HG ' ' A' ' 94' ' ' LEU . 7.3 tt -64.03 134.31 54.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -128.08 109.97 12.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.721 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 2.1 mp -68.43 111.42 8.0 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.166 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.43 145.83 30.46 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.424 2.083 . . . . 0.0 112.382 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 t -112.06 115.25 49.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.004 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.3 t -115.41 133.95 60.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.217 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 59.14 35.4 23.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.009 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? 59.33 30.63 20.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.003 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.71 147.04 29.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 33.3 mm -69.87 130.25 34.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.99 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.733 HD11 HD22 ' A' ' 158' ' ' LEU . 2.4 tt -95.57 127.91 42.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.543 ' N ' HD23 ' A' ' 115' ' ' LEU . 2.7 t70 -59.32 174.25 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.861 ' HA ' HD11 ' A' ' 166' ' ' LEU . 10.1 mt -128.66 -64.33 0.93 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.989 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -55.55 -51.03 68.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.807 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -57.7 -40.49 79.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.195 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.593 ' O ' HG23 ' A' ' 124' ' ' VAL . 0.2 OUTLIER -69.12 -44.48 72.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.982 -179.926 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.9 t -57.93 -35.08 70.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.062 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.4 mtmp? -68.07 -44.96 75.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.951 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.547 HG21 HG13 ' A' ' 142' ' ' VAL . 41.6 mt -58.95 -41.06 82.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.204 -179.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.839 HG21 ' CZ ' ' A' ' 162' ' ' TYR . 17.9 t -59.24 -50.23 80.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.154 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.91 -47.02 87.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.204 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 24.9 p -56.95 -22.25 36.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.449 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.595 ' HB2' HG22 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -87.45 -34.99 18.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.832 0.349 . . . . 0.0 110.987 -179.887 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 150.34 43.01 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.554 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.715 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 81.49 -65.62 3.98 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.593 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.497 ' CE2' ' CZ2' ' A' ' 139' ' ' TRP . 54.4 t80 -179.06 -54.02 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.908 0.385 . . . . 0.0 110.884 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -56.8 -37.08 70.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.025 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 8.9 tpp -63.04 -33.95 76.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.595 HG22 ' HB2' ' A' ' 127' ' ' LYS . 27.2 t -66.97 -50.03 68.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.101 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.5 m -66.51 -34.32 77.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.978 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.76 -31.72 71.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.162 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -112.26 8.53 19.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.487 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 14.9 mttm 55.17 32.4 18.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.875 0.369 . . . . 0.0 110.975 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.474 ' O ' HG23 ' A' ' 142' ' ' VAL . 11.8 mttm -68.49 -13.19 62.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.396 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.497 ' CZ2' ' CE2' ' A' ' 130' ' ' PHE . 93.5 m95 -53.81 -36.88 62.97 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.868 0.366 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 67.7 m -61.61 -38.16 86.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 8.6 mtpp -72.03 -31.97 66.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.83 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.547 HG13 HG21 ' A' ' 123' ' ' ILE . 33.4 t -62.73 -49.05 85.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -67.67 -38.26 89.83 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.555 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 14.3 m -60.19 -40.18 89.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.787 0.327 . . . . 0.0 110.934 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.46 -31.25 71.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.5 mt -69.91 -65.26 0.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.793 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 163.89 43.54 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.461 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -108.95 138.07 45.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.738 0.304 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.4 mp -85.23 148.14 49.3 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.4 120.6 7.64 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.614 2.209 . . . . 0.0 112.174 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -178.36 127.72 1.2 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.578 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 9.9 mttp -68.61 131.64 45.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.864 0.364 . . . . 0.0 110.816 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 107.5 30.24 4.16 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.487 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 9.8 m -130.03 -45.48 1.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.771 0.319 . . . . 0.0 110.968 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -57.88 -38.91 90.63 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.589 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 66.1 m -63.11 -31.65 72.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.84 0.353 . . . . 0.0 110.919 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 10.5 mp -71.1 -35.1 71.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.733 HD22 HD11 ' A' ' 115' ' ' LEU . 22.2 mt -69.95 -39.47 76.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.928 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . 0.422 ' HE2' ' CZ ' ' A' ' 130' ' ' PHE . 1.3 mtpm? -67.45 -43.9 79.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.791 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 14.1 m -64.57 -46.13 84.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 57.2 m-70 -67.69 -44.27 78.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.95 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . 0.839 ' CZ ' HG21 ' A' ' 124' ' ' VAL . 65.8 t80 -59.67 -48.98 79.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -87.66 68.38 9.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.884 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 18.3 mtt-85 -163.22 -44.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.658 ' O ' HD21 ' A' ' 94' ' ' LEU . 2.4 mp -131.46 7.22 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.637 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.861 HD11 ' HA ' ' A' ' 117' ' ' LEU . 3.6 mt -120.47 -70.35 0.79 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.799 0.333 . . . . 0.0 111.117 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 167' ' ' TYR . . . . . 0.478 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 3.1 t80 -53.93 -46.67 98.48 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.513 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 168' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 167' ' ' TYR . 52.4 Cg_exo -54.74 -33.42 80.38 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.304 2.003 . . . . 0.0 112.407 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -56.85 -53.21 60.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.02 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.25 -50.25 74.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.94 0.4 . . . . 0.0 110.949 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 48.4 mt -59.96 -38.49 82.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -57.58 -34.07 68.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.066 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -84.1 -43.93 14.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 13.0 m -98.08 30.98 2.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.948 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.469 -1.184 . . . . 0.0 112.421 -179.964 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 13.4 m . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.785 0.326 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -62.45 -49.94 73.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.972 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.4 -46.12 87.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.005 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -57.8 -37.67 74.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -58.6 -45.45 89.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.817 ' HG ' HD11 ' A' ' 117' ' ' LEU . 4.8 mp -60.01 -33.03 71.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.995 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.12 -45.04 82.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.014 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -61.41 -47.86 83.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.93 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 1.023 HD22 HD13 ' A' ' 105' ' ' LEU . 0.7 OUTLIER -61.49 -44.46 97.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.989 -179.811 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.538 ' HB2' HD23 ' A' ' 105' ' ' LEU . . . -70.13 -45.36 67.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.389 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -69.78 -42.84 73.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.16 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -62.16 -48.96 77.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.157 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.45 ' HD1' HD23 ' A' ' 94' ' ' LEU . 28.7 m95 -64.39 -38.33 90.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.959 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -56.02 -40.16 73.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.047 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 96.4 mt -58.99 -30.8 68.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.747 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -75.85 -45.91 33.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.713 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.63 -15.76 1.24 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.74 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.2 t -93.65 -160.17 0.74 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.729 0.299 . . . . 0.0 110.723 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -159.92 136.93 9.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.875 0.369 . . . . 0.0 110.893 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 1.023 HD13 HD22 ' A' ' 94' ' ' LEU . 18.0 tp -62.99 114.15 3.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.623 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.0 tptt -113.55 132.32 55.76 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.053 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.644 HG23 ' O ' ' A' ' 107' ' ' ILE . 12.9 tt -116.76 80.43 10.81 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.004 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.27 165.81 8.44 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.696 2.264 . . . . 0.0 112.275 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.8 t -110.68 113.81 45.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.897 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 22.0 t -107.21 129.71 60.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.336 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 59.73 37.7 22.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.065 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.07 30.5 19.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.879 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.0 tttm -142.6 145.4 33.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.463 HG22 HD11 ' A' ' 107' ' ' ILE . 4.5 mt -79.23 139.75 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.146 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.432 ' CD1' HD23 ' A' ' 158' ' ' LEU . 1.0 OUTLIER -96.99 129.4 44.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.018 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -83.91 175.09 9.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.817 HD11 ' HG ' ' A' ' 91' ' ' LEU . 0.1 OUTLIER -124.69 -60.22 1.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.084 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -55.61 -51.06 68.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.968 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.03 -44.52 96.54 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.378 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 57.9 tp -61.6 -46.21 90.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.058 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 17.1 t -57.91 -35.0 70.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 14.4 mttp -66.56 -43.61 84.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.087 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.93 HG21 HG13 ' A' ' 142' ' ' VAL . 67.9 mt -58.85 -47.33 89.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.202 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.584 HG12 ' O ' ' A' ' 129' ' ' GLY . 21.7 t -58.91 -50.15 80.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.21 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.51 -47.1 82.88 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.317 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.68 -26.13 55.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.168 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.676 ' HB2' HG22 ' A' ' 133' ' ' VAL . 0.7 OUTLIER -83.36 -27.03 29.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.902 179.878 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 158.1 -25.24 0.41 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.554 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.584 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 137.81 -55.44 0.68 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.434 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -178.49 -61.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.851 0.357 . . . . 0.0 110.904 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -61.51 -39.64 91.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.967 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.97 -35.98 78.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.784 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.676 HG22 ' HB2' ' A' ' 127' ' ' LYS . 20.1 t -67.02 -43.38 89.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.195 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 7.5 m -63.86 -46.06 86.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 3.5 mtmm -61.78 -37.84 85.81 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -86.36 -15.17 41.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.286 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 2.6 mttm 65.13 37.25 6.75 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.883 0.373 . . . . 0.0 110.852 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.692 ' O ' HG23 ' A' ' 142' ' ' VAL . 7.1 mttt -90.78 11.05 23.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.264 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 62.7 m95 -67.09 -37.22 83.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.829 0.347 . . . . 0.0 110.836 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.24 -35.94 81.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -67.59 -35.84 79.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.74 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.93 HG13 HG21 ' A' ' 123' ' ' ILE . 25.3 t -58.92 -47.95 88.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.085 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -68.87 -33.77 75.85 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.533 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 32.2 m -59.45 -36.11 75.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.93 0.395 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -67.63 -31.96 72.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 30.1 mt -72.2 -66.06 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 153.26 56.43 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.422 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . 0.47 ' CE2' HD21 ' A' ' 158' ' ' LEU . 57.3 m-85 -111.18 145.15 39.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.81 0.338 . . . . 0.0 110.915 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 12.6 mt -88.92 154.03 49.73 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.948 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.34 150.75 84.41 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.601 2.201 . . . . 0.0 112.268 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 169.26 -165.16 38.66 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.576 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 18.5 mttm -88.81 88.11 7.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.754 0.311 . . . . 0.0 110.946 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . 0.404 ' O ' ' HB ' ' A' ' 154' ' ' THR . . . 133.24 -117.23 1.88 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.501 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . 0.404 ' HB ' ' O ' ' A' ' 153' ' ' GLY . 68.9 m 65.9 -72.91 0.07 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.702 0.287 . . . . 0.0 111.049 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -62.22 -39.29 97.5 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.444 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 10.4 m -68.71 -37.68 79.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.822 0.344 . . . . 0.0 110.83 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 22.6 mt -66.91 -42.69 84.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.47 HD21 ' CE2' ' A' ' 148' ' ' TYR . 6.9 mt -61.31 -38.86 88.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.8 -42.72 99.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.793 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 31.1 m -67.11 -44.37 80.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -63.92 -41.6 97.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.736 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . 0.492 ' CE2' ' CD1' ' A' ' 167' ' ' TYR . 37.5 t80 -60.03 -49.06 79.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.794 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -94.25 71.72 3.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.639 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.25 -42.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.406 HG22 HD21 ' A' ' 94' ' ' LEU . 1.7 mp -131.44 -42.62 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.782 0.325 . . . . 0.0 111.727 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.476 HD22 ' HA ' ' A' ' 117' ' ' LEU . 37.0 tp -77.41 -73.35 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.764 -179.27 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 167' ' ' TYR . . . . . 0.568 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 1.4 t80 -43.89 -54.39 11.05 Favored Pre-proline 0 CA--C 1.534 0.34 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -179.264 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 168' ' ' PRO . . . . . 0.755 ' HA ' HD12 ' A' ' 171' ' ' LEU . 10.5 Cg_endo -54.68 -25.67 43.09 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.329 2.02 . . . . 0.0 112.709 -179.578 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -56.79 -53.16 61.08 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.825 0.345 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -57.61 -49.99 74.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 0.755 HD12 ' HA ' ' A' ' 168' ' ' PRO . 4.2 mt -54.95 -37.31 66.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.204 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -58.8 -39.75 82.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -84.7 -42.0 15.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.949 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 21.8 m -98.22 31.1 2.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.009 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.354 -1.248 . . . . 0.0 112.432 179.99 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 9.6 m . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.841 0.353 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 50.0 ttt-85 -66.97 -45.04 78.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.9 mp -64.51 -40.12 95.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.828 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -57.73 -43.17 85.11 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.07 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -58.73 -47.89 83.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.33 -33.02 71.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.11 -46.94 84.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.058 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -63.31 -44.96 93.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.436 HD13 ' CG ' ' A' ' 169' ' ' TYR . 50.2 tp -62.68 -48.12 80.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.959 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.11 -43.09 71.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.28 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.425 ' O ' HD12 ' A' ' 100' ' ' LEU . 3.0 mttp -64.86 -44.88 88.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.208 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -58.7 -49.17 78.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.164 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 39.2 m95 -65.94 -34.29 77.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.957 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.83 -44.2 77.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.083 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.425 HD12 ' O ' ' A' ' 96' ' ' LYS . 3.4 mp -59.36 -31.99 69.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.95 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -69.41 -41.15 76.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 109.85 24.18 5.89 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.524 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.2 m -99.17 -29.48 12.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.774 0.321 . . . . 0.0 110.968 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 10.3 m 66.16 100.41 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.848 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.22 126.87 30.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.068 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 34.0 mtpt -127.88 109.99 12.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.707 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 36.5 mm -62.35 110.72 3.61 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.074 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -80.02 179.4 6.25 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.449 2.099 . . . . 0.0 112.365 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 29.9 t -125.04 149.04 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.889 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.649 HG21 HD12 ' A' ' 115' ' ' LEU . 13.3 t -128.22 112.06 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.839 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.446 ' HG2' HG12 ' A' ' 110' ' ' VAL . 1.3 mm-40 74.03 -49.41 0.68 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.156 -179.723 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 179.89 -26.59 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.484 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.24 171.85 7.24 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.873 0.368 . . . . 0.0 111.004 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 3.2 mp -91.08 133.82 31.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.035 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.649 HD12 HG21 ' A' ' 110' ' ' VAL . 2.5 tt -74.77 128.84 36.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.498 ' N ' HD23 ' A' ' 115' ' ' LEU . 2.8 t70 -58.8 174.45 0.34 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.804 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.839 ' HB3' HD21 ' A' ' 166' ' ' LEU . 2.2 mp -133.53 -68.67 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.06 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -59.09 -51.21 71.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.965 0.412 . . . . 0.0 110.674 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.96 -30.69 71.69 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.307 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.472 ' O ' HG23 ' A' ' 124' ' ' VAL . 0.3 OUTLIER -69.11 -49.01 60.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.134 -179.723 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 44.9 t -60.52 -34.86 74.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.122 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 3.3 mmtm -64.26 -46.59 83.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.938 HG21 HG13 ' A' ' 142' ' ' VAL . 26.8 mt -58.84 -48.89 84.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.46 -179.598 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.649 HG12 ' O ' ' A' ' 129' ' ' GLY . 17.0 t -59.05 -50.18 80.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.813 0.34 . . . . 0.0 111.213 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.56 -43.68 93.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.306 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 58.1 p -56.79 -26.82 58.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.415 ' HB2' HG22 ' A' ' 133' ' ' VAL . 2.9 mmpt? -83.78 -25.11 30.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.919 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 154.57 -24.32 0.65 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.567 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.649 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 140.98 -56.62 0.6 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.459 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.437 ' CZ ' ' HD3' ' A' ' 159' ' ' LYS . 37.0 t80 -179.78 -56.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.795 0.331 . . . . 0.0 110.837 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -60.47 -39.74 88.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.3 tpp -60.89 -35.3 76.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.576 HG12 ' CD1' ' A' ' 139' ' ' TRP . 26.1 t -66.79 -42.53 89.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.006 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 6.8 m -65.27 -37.98 88.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 4.8 mmtp -61.73 -38.15 86.85 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.96 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -92.47 -18.25 23.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.078 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.17 38.37 3.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.82 0.343 . . . . 0.0 110.868 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.631 ' O ' HG23 ' A' ' 142' ' ' VAL . 12.6 mmtp -92.72 12.6 22.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.202 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.576 ' CD1' HG12 ' A' ' 133' ' ' VAL . 68.4 m95 -67.15 -35.09 78.95 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.802 0.334 . . . . 0.0 110.738 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 9.2 m -65.85 -34.56 78.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 13.0 mtpt -71.1 -33.71 70.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.823 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.938 HG13 HG21 ' A' ' 123' ' ' ILE . 24.8 t -61.68 -49.08 85.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.0 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.407 ' HA3' HD11 ' A' ' 158' ' ' LEU . . . -67.78 -42.9 85.87 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.439 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 14.9 m -60.17 -36.04 76.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.783 0.325 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.46 -34.1 76.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 6.2 mp -68.51 -49.14 61.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 149.43 50.14 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.361 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . 0.459 ' CE2' HD21 ' A' ' 158' ' ' LEU . 4.9 m-85 -105.6 136.65 44.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.84 154.49 85.7 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -72.29 103.92 1.6 Allowed 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.56 2.174 . . . . 0.0 112.371 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -138.65 -168.24 11.21 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.497 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -85.92 -74.54 0.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.753 0.311 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -82.53 123.2 5.99 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.485 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 1.1 m -161.44 -44.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.836 0.35 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -59.18 -36.08 87.14 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.477 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 6.3 m -67.75 -35.99 79.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.786 0.327 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 4.3 mt -64.93 -41.0 95.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.459 HD21 ' CE2' ' A' ' 148' ' ' TYR . 5.0 mt -71.78 -44.46 63.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.923 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . 0.437 ' HD3' ' CZ ' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -61.62 -42.02 98.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.882 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 50.7 m -66.85 -46.06 76.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 36.5 m-70 -65.86 -48.07 72.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . 0.529 ' CE2' HG21 ' A' ' 124' ' ' VAL . 32.1 t80 -60.04 -49.05 79.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -92.53 62.99 4.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.799 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.58 -44.07 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.025 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 2.4 mp -130.02 -42.66 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.343 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.839 HD21 ' HB3' ' A' ' 117' ' ' LEU . 0.5 OUTLIER -73.34 -67.08 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.341 -179.635 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 167' ' ' TYR . . . . . 0.586 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 3.0 t80 -45.92 -52.91 23.5 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.299 -0.409 . . . . 0.0 112.071 -179.571 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 168' ' ' PRO . . . . . 0.726 ' HA ' HD12 ' A' ' 171' ' ' LEU . 10.4 Cg_endo -54.61 -25.8 43.09 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.318 2.012 . . . . 0.0 112.63 -179.506 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 169' ' ' TYR . . . . . 0.436 ' CG ' HD13 ' A' ' 94' ' ' LEU . 35.6 t80 -56.87 -53.12 61.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.875 0.369 . . . . 0.0 110.801 179.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.18 -50.03 75.57 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.791 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 0.726 HD12 ' HA ' ' A' ' 168' ' ' PRO . 3.0 mt -56.41 -36.16 68.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -59.14 -38.08 78.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.805 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -81.35 -43.99 18.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.958 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 7.9 m -98.05 30.57 3.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.975 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.374 -1.237 . . . . 0.0 112.591 -179.997 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.519 ' O ' HD12 ' A' ' 82' ' ' LEU . . . . . . . . 0 N--CA 1.49 2.235 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.44 102.11 1.23 Allowed 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.63 2.22 . . . . 0.0 112.287 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.519 HD12 ' O ' ' A' ' 80' ' ' GLY . 4.3 mp -81.26 85.01 6.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -82.16 -101.51 0.43 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.543 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 50.9 m -129.54 31.34 4.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.884 0.373 . . . . 0.0 110.929 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.8 mtp85 -72.34 -51.07 22.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 18.2 m -62.98 -36.18 74.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 73.5 mtt180 -59.71 -46.81 87.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 15.5 mt -65.93 -45.57 81.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.9 -42.97 85.8 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.009 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.475 ' HE1' HD11 ' A' ' 166' ' ' LEU . 33.2 t80 -62.43 -48.8 78.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.919 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.787 HD21 HD22 ' A' ' 117' ' ' LEU . 16.9 mt -60.03 -32.95 71.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -61.08 -39.6 90.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.985 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -69.98 -45.62 66.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.968 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.553 HD23 HD11 ' A' ' 105' ' ' LEU . 28.7 tp -66.1 -43.06 88.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.71 ' HB2' HD22 ' A' ' 105' ' ' LEU . . . -68.74 -37.84 79.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.224 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.05 -44.32 48.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.121 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -60.31 -49.32 78.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.039 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 36.9 m95 -66.28 -35.0 79.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.977 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -55.83 -37.72 69.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.101 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 69.7 mt -59.25 -31.63 69.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.812 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -75.59 -44.73 41.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.817 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 113.75 22.9 5.21 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.526 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.79 -26.08 15.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.784 0.326 . . . . 0.0 111.064 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 31.6 m 64.41 109.78 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.71 HD22 ' HB2' ' A' ' 95' ' ' ALA . 0.8 OUTLIER -64.3 132.61 50.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.032 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -128.03 132.13 49.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.3 pt -98.81 98.71 6.53 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.188 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -68.63 144.79 61.57 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.531 2.154 . . . . 0.0 112.274 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.439 HG13 ' O ' ' A' ' 113' ' ' LYS . 21.5 t -99.62 133.33 42.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.154 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.615 ' CG2' HD23 ' A' ' 115' ' ' LEU . 21.9 t -129.11 128.81 67.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.192 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 60.11 38.67 20.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 60.11 30.18 19.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.805 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.439 ' O ' HG13 ' A' ' 109' ' ' VAL . 13.5 mtmm -144.27 167.69 21.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 4.2 mt -81.76 141.38 15.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.615 HD23 ' CG2' ' A' ' 110' ' ' VAL . 0.3 OUTLIER -83.7 117.81 23.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.961 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.422 ' N ' HD13 ' A' ' 115' ' ' LEU . 8.1 t0 -59.12 162.85 4.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.795 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.787 HD22 HD21 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -139.68 -58.42 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.985 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -57.59 -51.28 70.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.866 0.365 . . . . 0.0 110.717 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.404 ' HB3' ' OD2' ' A' ' 116' ' ' ASP . . . -66.25 -42.54 88.41 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.174 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.883 ' O ' HG23 ' A' ' 124' ' ' VAL . 18.9 tp -60.26 -38.05 82.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.082 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 13.4 t -66.73 -39.89 88.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.035 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -67.97 -43.94 77.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.073 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.705 HD12 ' HA ' ' A' ' 120' ' ' LEU . 8.4 mt -58.8 -40.65 80.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.264 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.883 HG23 ' O ' ' A' ' 120' ' ' LEU . 22.0 t -62.27 -50.23 80.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.167 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.38 -47.09 86.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 50.7 p -57.06 -21.53 32.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.345 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.709 ' CB ' HG22 ' A' ' 133' ' ' VAL . 0.1 OUTLIER -86.17 -27.91 24.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.879 0.371 . . . . 0.0 110.943 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 138.53 41.18 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.451 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.746 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 86.15 -67.45 3.51 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.509 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -177.82 -53.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.879 0.371 . . . . 0.0 111.004 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -56.97 -39.33 74.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.073 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.95 -32.13 71.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.709 HG22 ' CB ' ' A' ' 127' ' ' LYS . 14.0 t -67.12 -45.55 86.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.077 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 3.3 m -70.01 -39.53 75.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 24.0 mtmm -61.72 -37.84 85.67 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.015 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -95.16 -14.9 23.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.153 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? 67.2 38.91 3.22 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.847 0.356 . . . . 0.0 110.846 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -92.57 13.89 18.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.278 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.504 ' CD1' HG12 ' A' ' 133' ' ' VAL . 63.7 m95 -67.14 -32.44 73.56 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.831 0.348 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.5 m -60.31 -40.47 90.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.09 -31.54 72.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.575 HG13 HG21 ' A' ' 123' ' ' ILE . 22.0 t -63.15 -49.11 84.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.063 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -68.98 -39.88 84.64 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.561 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 2.7 m -60.27 -39.46 86.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 111.027 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -61.97 -31.94 72.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.571 HD12 ' HE2' ' A' ' 148' ' ' TYR . 89.5 mt -67.84 -52.89 31.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 140.51 44.34 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.49 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . 0.571 ' HE2' HD12 ' A' ' 146' ' ' LEU . 24.5 m-85 -106.42 134.84 48.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.869 0.366 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.4 mt -75.95 144.87 76.66 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.35 89.21 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.474 2.116 . . . . 0.0 112.28 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -103.88 -151.84 22.37 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.542 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 14.6 mttm -61.55 -72.06 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.799 0.333 . . . . 0.0 110.856 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -164.06 72.85 0.18 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.641 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 20.5 m -65.84 -23.69 66.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.728 0.299 . . . . 0.0 111.093 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -56.95 -37.01 76.24 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.605 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 2.1 m -66.55 -36.19 82.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 110.835 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 6.4 mp -72.95 -38.39 66.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.791 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.475 HD23 HD21 ' A' ' 115' ' ' LEU . 66.4 mt -63.37 -44.61 94.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . 0.432 ' HG3' ' CD2' ' A' ' 139' ' ' TRP . 0.0 OUTLIER -60.95 -47.99 83.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.827 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 8.9 m -67.03 -42.1 85.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -63.95 -47.82 78.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . 0.786 ' CE2' HG21 ' A' ' 124' ' ' VAL . 24.5 t80 -66.99 -46.92 73.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -88.36 69.68 9.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -171.46 -36.84 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.349 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 2.0 mp -126.48 -48.28 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.642 0.258 . . . . 0.0 111.608 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.475 HD11 ' HE1' ' A' ' 90' ' ' PHE . 11.2 tp -78.24 -51.87 9.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.551 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . 0.538 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 2.6 t80 -54.84 -55.85 33.98 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.667 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 10.8 Cg_endo -54.79 -25.84 44.77 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.422 2.081 . . . . 0.0 112.667 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -56.89 -53.12 61.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.856 0.36 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.74 -50.12 74.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.965 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 53.9 mt -56.26 -36.93 69.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.053 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -58.14 -40.67 81.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.953 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -85.15 -40.87 16.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 9.2 m -97.84 30.86 2.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.031 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.432 -1.204 . . . . 0.0 112.487 -179.928 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.294 0 N-CA-C 112.446 -0.261 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.37 107.46 2.15 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.527 2.151 . . . . 0.0 112.226 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.5 mt -84.65 114.72 22.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.97 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 142.99 -34.18 1.79 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.571 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.43 87.36 2.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.786 0.327 . . . . 0.0 110.975 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.449 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 5.1 mpt_? -72.32 -39.55 68.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 11.7 m -69.36 -35.06 65.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.311 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -66.97 -50.18 63.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.769 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.713 HD12 ' N ' ' A' ' 89' ' ' ASP . 3.5 pp -61.01 -46.13 92.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.878 0.37 . . . . 0.0 111.024 -179.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.713 ' N ' HD12 ' A' ' 88' ' ' LEU . 22.0 m-20 -57.69 -43.09 84.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.045 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -68.07 -41.88 81.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.727 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.589 HD11 HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -59.72 -33.98 72.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.924 -179.841 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.1 -41.08 86.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -60.95 -48.13 83.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.213 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.912 HD22 HD12 ' A' ' 105' ' ' LEU . 0.7 OUTLIER -66.08 -41.05 91.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.085 -179.618 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.08 -44.07 69.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.468 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.31 -34.02 65.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.298 -179.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -66.27 -49.0 68.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.276 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.468 ' HD1' HD23 ' A' ' 94' ' ' LEU . 25.9 m95 -66.05 -38.78 89.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.183 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -55.96 -42.52 76.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.108 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.5 mt -58.95 -31.75 68.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.648 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -73.86 -48.36 31.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.537 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.94 -13.05 1.12 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.751 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 43.6 p -94.75 -162.36 0.94 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.773 0.32 . . . . 0.0 110.849 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.3 t -153.45 144.71 23.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.783 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.912 HD12 HD22 ' A' ' 94' ' ' LEU . 3.4 tt -78.42 126.86 31.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.855 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -128.01 132.31 49.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.554 HD11 HD21 ' A' ' 105' ' ' LEU . 1.7 mp -113.89 82.35 6.67 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.243 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.407 ' HG2' ' CE1' ' A' ' 161' ' ' HIS . 50.8 Cg_exo -53.4 179.49 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.623 2.215 . . . . 0.0 112.294 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 29.3 t -125.04 113.11 34.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.016 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.4 t -111.35 138.05 41.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.206 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 61.65 35.93 16.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.017 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 58.56 30.35 19.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -151.48 165.34 34.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.816 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 28.6 mt -78.16 141.3 15.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.101 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.785 HD23 ' O ' ' A' ' 116' ' ' ASP . 3.2 tt -87.43 131.95 34.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.01 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.785 ' O ' HD23 ' A' ' 115' ' ' LEU . 3.8 t0 -69.46 165.57 20.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.535 HD11 HD23 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -138.42 -67.35 0.47 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.029 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -56.74 -51.28 69.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.29 -33.21 74.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.206 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.837 ' HA ' HD12 ' A' ' 123' ' ' ILE . 45.1 tp -68.71 -43.03 76.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.973 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 20.6 t -58.01 -36.99 73.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.033 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.1 mmtm -68.21 -42.79 79.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.083 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.837 HD12 ' HA ' ' A' ' 120' ' ' LEU . 13.7 mt -58.85 -44.12 89.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.359 -179.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.69 HG12 ' O ' ' A' ' 129' ' ' GLY . 18.6 t -59.67 -50.18 80.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.859 0.361 . . . . 0.0 111.131 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.86 -42.82 98.61 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.31 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 42.0 p -56.77 -25.4 55.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.206 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.551 ' CB ' HG22 ' A' ' 133' ' ' VAL . 9.5 mttt -84.08 -25.08 30.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 151.46 -21.37 0.94 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.669 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.69 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 145.89 -57.91 0.51 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.515 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.402 ' CE2' ' OE1' ' A' ' 163' ' ' GLU . 56.3 t80 -178.09 -58.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.836 0.35 . . . . 0.0 110.724 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -59.64 -34.25 72.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.956 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -39.24 88.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.551 HG22 ' CB ' ' A' ' 127' ' ' LYS . 24.1 t -66.81 -44.81 88.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 3.8 m -70.0 -44.39 69.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.962 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 15.3 mmtt -61.69 -37.89 85.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.993 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -92.13 -13.37 30.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.315 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.19 34.73 4.82 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.817 0.341 . . . . 0.0 110.792 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.87 0.17 45.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.368 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.457 ' CD1' HG12 ' A' ' 133' ' ' VAL . 81.3 m95 -58.89 -32.41 69.48 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.839 0.352 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.9 m -61.81 -41.38 97.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -63.35 -32.16 73.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.927 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.531 HG13 HG21 ' A' ' 123' ' ' ILE . 29.3 t -62.42 -48.38 88.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -68.05 -33.4 78.85 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.459 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 14.8 m -65.35 -37.32 86.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.787 0.327 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -31.56 71.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 2.2 tt -78.56 -66.19 0.89 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 160.22 42.64 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.474 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . 0.501 ' CE2' HD21 ' A' ' 158' ' ' LEU . 22.5 m-85 -97.24 118.38 33.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.826 0.346 . . . . 0.0 110.815 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 91.1 mt -61.2 150.28 79.83 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -69.28 92.17 0.47 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.624 2.216 . . . . 0.0 112.167 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -100.41 -147.68 21.36 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.409 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -99.31 -30.16 12.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.847 0.356 . . . . 0.0 111.042 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . 0.441 ' O ' ' HB ' ' A' ' 154' ' ' THR . . . -143.36 -115.93 1.1 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.674 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . 0.441 ' HB ' ' O ' ' A' ' 153' ' ' GLY . 9.8 m 78.5 -7.88 1.73 Allowed 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -75.33 -41.97 29.37 Favored Glycine 0 C--N 1.334 0.423 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.585 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 24.3 m -61.32 -39.45 90.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.819 0.342 . . . . 0.0 110.965 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 4.1 mp -63.95 -45.95 86.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.501 HD21 ' CE2' ' A' ' 148' ' ' TYR . 10.2 mt -65.58 -42.01 92.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.755 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? -72.11 -38.55 69.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.855 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 62.3 m -66.96 -44.4 80.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . 0.407 ' CE1' ' HG2' ' A' ' 108' ' ' PRO . 42.3 m-70 -64.01 -41.85 97.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.786 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . 0.42 ' CZ ' HG21 ' A' ' 124' ' ' VAL . 71.6 t80 -61.91 -49.12 77.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.804 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.409 ' HA ' ' CB ' ' A' ' 167' ' ' TYR . 50.7 tt0 -91.43 70.32 5.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.843 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -166.2 -41.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.16 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.625 HG22 HD21 ' A' ' 94' ' ' LEU . 2.4 mt -127.24 -39.42 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.667 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.513 HD23 ' CD1' ' A' ' 94' ' ' LEU . 62.6 mt -84.24 -53.15 5.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.587 -179.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . 0.514 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 1.4 t80 -58.64 -55.94 40.86 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.599 -179.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 17.3 Cg_endo -58.66 -27.11 82.0 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.205 1.937 . . . . 0.0 112.643 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . 0.591 ' CD2' HD12 ' A' ' 94' ' ' LEU . 20.2 t80 -56.97 -53.22 60.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.778 0.323 . . . . 0.0 110.835 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.95 -50.23 74.59 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.902 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 67.5 mt -57.98 -38.69 76.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.077 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -57.26 -35.54 69.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.993 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -77.98 -44.03 27.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 1.9 m -99.37 30.32 3.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.333 -1.259 . . . . 0.0 112.423 -179.929 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.136 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.85 -168.03 0.3 Allowed 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.659 2.24 . . . . 0.0 112.225 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.7 mp 59.78 102.84 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -169.1 -41.08 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -141.98 38.0 1.6 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.845 0.355 . . . . 0.0 110.904 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -73.76 -50.89 18.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 29.0 m -63.37 -39.45 85.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.185 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.5 ttt180 -60.19 -48.01 83.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.491 ' HA ' HD12 ' A' ' 91' ' ' LEU . 4.7 tt -66.25 -40.61 90.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -57.74 -42.62 84.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.118 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -62.44 -42.68 99.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.045 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' A' ' 88' ' ' LEU . 11.4 mt -60.85 -33.06 72.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -65.9 -43.72 87.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.078 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 56.5 mm-40 -65.88 -40.68 91.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.981 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.843 HD21 HG22 ' A' ' 165' ' ' ILE . 2.5 tt -63.01 -46.55 87.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.013 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.606 ' HB2' HD23 ' A' ' 105' ' ' LEU . . . -69.91 -41.39 74.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.34 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -65.03 -44.82 87.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.16 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -60.66 -49.04 79.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.09 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 40.0 m95 -66.09 -32.81 74.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.26 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -55.73 -41.59 74.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 0.0 111.092 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 29.0 mt -62.3 -30.86 71.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.82 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -70.33 -40.21 74.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 114.95 16.5 7.31 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.905 -0.665 . . . . 0.0 112.667 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.484 ' C ' HG23 ' A' ' 104' ' ' THR . 0.4 OUTLIER -114.48 -22.01 10.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.699 0.285 . . . . 0.0 111.17 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.484 HG23 ' C ' ' A' ' 103' ' ' SER . 0.0 OUTLIER 56.09 169.18 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.869 0.366 . . . . 0.0 111.054 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.836 HD13 HG21 ' A' ' 165' ' ' ILE . 62.2 tp -113.5 124.79 53.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.971 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 19.1 tptm -119.56 109.96 16.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.656 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 4.8 mt -62.02 110.14 2.95 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.243 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -75.54 126.25 9.5 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.37 2.047 . . . . 0.0 112.367 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.5 t -94.29 116.78 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.028 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 25.2 t -125.14 137.88 56.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.205 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 60.65 35.97 19.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 6.7 ttm-85 58.14 29.57 18.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 7.2 tttm -146.34 166.93 24.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.819 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 29.6 mm -85.58 140.54 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.796 HD23 ' O ' ' A' ' 116' ' ' ASP . 8.9 tt -92.79 111.21 22.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.796 ' O ' HD23 ' A' ' 115' ' ' LEU . 1.5 t70 -59.05 175.23 0.3 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.446 ' HB3' HD23 ' A' ' 166' ' ' LEU . 30.4 mt -142.85 -55.45 0.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.011 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -58.86 -51.37 70.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.97 -39.3 94.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.236 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.838 ' HA ' HD12 ' A' ' 123' ' ' ILE . 42.9 tp -68.83 -39.15 80.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.0 t -57.86 -39.36 77.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.084 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -68.04 -41.02 82.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.944 HG21 HG13 ' A' ' 142' ' ' VAL . 23.1 mt -58.81 -46.25 91.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.382 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.643 HG12 ' O ' ' A' ' 129' ' ' GLY . 17.5 t -59.33 -50.28 80.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.149 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.34 -46.27 89.09 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.29 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 78.6 p -56.8 -25.67 56.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.173 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.02 -24.65 30.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.998 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 154.08 -23.46 0.69 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.679 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.643 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 139.41 -55.3 0.66 Allowed Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.343 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -178.57 -56.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.99 0.424 . . . . 0.0 110.948 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -59.47 -42.08 91.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.002 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -61.0 -34.61 75.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.794 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.604 HG21 HG13 ' A' ' 124' ' ' VAL . 20.2 t -66.98 -46.3 85.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.156 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 28.1 m -69.97 -35.08 74.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 8.7 mtpt -61.87 -31.13 71.37 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.048 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -104.09 -11.97 17.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.287 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 23.9 tttt 65.93 34.99 6.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.815 0.341 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.563 ' O ' HG23 ' A' ' 142' ' ' VAL . 11.3 mmtm -80.58 -4.71 55.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.3 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.565 ' CD1' HG12 ' A' ' 133' ' ' VAL . 97.3 m95 -55.54 -37.4 67.92 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.754 0.312 . . . . 0.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.62 -41.85 99.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.794 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.71 -35.26 80.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.944 HG13 HG21 ' A' ' 123' ' ' ILE . 25.1 t -59.68 -48.45 87.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -59.2 -36.86 90.54 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 16.7 m -66.48 -38.03 86.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.846 0.355 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 22.4 mtm-85 -69.95 -33.99 72.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.7 HD21 ' HB3' ' A' ' 116' ' ' ASP . 0.2 OUTLIER -63.45 -42.0 98.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 135.56 44.4 0.1 Allowed Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.396 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -105.12 166.17 10.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.914 0.387 . . . . 0.0 110.954 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 3.4 mt -88.04 153.57 51.84 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -68.58 145.01 62.71 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.555 2.17 . . . . 0.0 112.304 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 155.57 -171.03 33.58 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.476 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -124.91 134.17 52.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.825 0.345 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 108.14 28.18 4.78 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.466 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 1.1 m -118.23 -39.89 3.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.858 0.361 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . 0.723 ' HA2' HD12 ' A' ' 158' ' ' LEU . . . -58.75 -39.74 94.06 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.536 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 6.4 m -61.16 -38.29 85.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.781 0.325 . . . . 0.0 110.814 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 11.1 mp -69.65 -44.23 70.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.723 HD12 ' HA2' ' A' ' 155' ' ' GLY . 4.0 mt -60.01 -40.12 88.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.937 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . 0.439 ' HG3' ' CD2' ' A' ' 139' ' ' TRP . 1.0 OUTLIER -67.15 -43.34 82.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 3.6 m -66.96 -46.1 75.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 48.9 m-70 -65.81 -41.58 91.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . 0.548 ' HD1' HD23 ' A' ' 120' ' ' LEU . 86.6 t80 -58.43 -46.88 85.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -93.13 47.85 1.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.824 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -132.83 -43.68 0.89 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.016 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.843 HG22 HD21 ' A' ' 94' ' ' LEU . 1.5 mp -129.21 -50.15 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.891 0.377 . . . . 0.0 111.409 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.504 HD13 ' C ' ' A' ' 166' ' ' LEU . 2.8 tm? -63.21 -61.89 2.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.485 -179.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . 0.513 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 2.9 t80 -53.06 -56.35 24.6 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.868 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 15.1 Cg_endo -57.7 -29.35 85.27 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.238 1.959 . . . . 0.0 112.52 -179.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -57.45 -53.05 62.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.767 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -56.3 -49.45 74.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.818 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 9.1 mp -54.91 -33.88 62.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.973 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -68.23 -31.4 70.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -68.55 -44.2 75.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.018 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 1.8 m 176.97 40.81 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.966 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.433 -1.204 . . . . 0.0 112.58 179.896 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.212 0 N-CA-C 112.526 -0.229 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.52 -23.75 19.68 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.481 2.121 . . . . 0.0 112.401 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.7 mt -56.91 93.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -156.0 -93.29 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.407 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.0 p -104.3 36.02 2.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.848 0.356 . . . . 0.0 110.913 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.48 -51.08 64.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 18.3 m -60.32 -36.05 66.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.177 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -58.66 -49.56 77.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.952 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.4 mp -66.94 -46.05 75.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.967 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.74 -43.16 85.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.031 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -67.24 -44.03 80.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.644 HD21 HD11 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -59.98 -36.7 77.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.983 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -67.07 -36.86 82.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -72.01 -39.9 68.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.591 HD23 HD11 ' A' ' 105' ' ' LEU . 19.8 tp -59.56 -48.86 80.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.989 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.433 ' HB2' HD22 ' A' ' 105' ' ' LEU . . . -69.91 -43.09 72.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.226 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -64.96 -41.43 95.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.1 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -66.77 -49.29 66.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.945 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 38.8 m95 -66.24 -35.57 80.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.071 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.79 -40.34 72.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.072 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 16.4 mt -64.71 -30.97 72.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -68.51 -39.38 81.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 109.79 23.84 6.04 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.58 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.3 m -106.11 -26.63 11.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.778 0.323 . . . . 0.0 111.026 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 19.4 m 64.85 107.2 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.591 HD11 HD23 ' A' ' 94' ' ' LEU . 6.6 tt -64.64 133.05 51.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.425 ' O ' ' HD3' ' A' ' 108' ' ' PRO . 33.4 mttp -128.04 132.2 49.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.808 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.5 mt -105.11 100.97 27.61 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.034 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.425 ' HD3' ' O ' ' A' ' 106' ' ' LYS . 2.9 Cg_exo -76.12 168.05 24.78 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.837 2.358 . . . . 0.0 112.269 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.9 t -125.1 117.43 49.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.756 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 15.5 t -107.03 133.15 52.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.356 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 56.65 39.58 29.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.056 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 25.2 mtm-85 56.53 26.67 11.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.965 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -138.28 139.08 38.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.792 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 13.7 mt -72.84 139.13 20.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.121 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.48 HD12 ' OH ' ' A' ' 148' ' ' TYR . 4.6 tt -101.61 110.82 22.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.724 ' H ' HD21 ' A' ' 146' ' ' LEU . 1.8 t70 -59.39 175.47 0.32 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.949 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.964 HD23 HD22 ' A' ' 166' ' ' LEU . 0.3 OUTLIER -126.18 -61.32 1.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.009 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -56.81 -51.15 70.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.947 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -56.75 -38.82 72.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.314 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.705 ' O ' HG23 ' A' ' 124' ' ' VAL . 0.2 OUTLIER -69.0 -38.97 79.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 -179.901 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 10.3 t -58.4 -44.39 88.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.173 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -61.95 -45.53 93.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.157 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.688 HG21 HG13 ' A' ' 142' ' ' VAL . 45.3 mt -58.81 -49.05 84.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.384 -179.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.761 HG21 ' CZ ' ' A' ' 162' ' ' TYR . 20.7 t -58.88 -50.13 80.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.861 0.362 . . . . 0.0 111.311 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -58.0 -47.19 83.75 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.139 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 27.2 p -56.99 -22.26 37.06 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.398 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.42 ' HB2' HG22 ' A' ' 133' ' ' VAL . 1.6 mmtt -87.69 -40.1 14.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.854 0.359 . . . . 0.0 110.86 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 156.5 42.38 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.594 -0.813 . . . . 0.0 112.708 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.625 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 75.63 -63.28 2.69 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.749 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -177.24 -51.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.332 . . . . 0.0 111.13 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -56.74 -44.73 81.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.189 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 3.1 ttm -60.93 -32.77 72.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.878 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.486 HG21 HG13 ' A' ' 124' ' ' VAL . 21.4 t -67.01 -48.65 78.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.11 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 2.9 m -65.64 -39.69 91.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.011 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -37.91 86.18 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -93.11 -13.8 28.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.18 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt 65.94 38.3 5.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.831 0.348 . . . . 0.0 110.79 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.651 ' O ' HG23 ' A' ' 142' ' ' VAL . 16.0 mtpt -89.46 9.57 25.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.297 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.422 ' CE2' ' HG2' ' A' ' 159' ' ' LYS . 88.0 m95 -65.4 -32.02 73.42 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.826 0.346 . . . . 0.0 110.756 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 6.5 m -66.55 -41.53 88.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.755 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 4.6 mtmt -65.35 -34.76 79.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.772 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.688 HG13 HG21 ' A' ' 123' ' ' ILE . 38.2 t -60.18 -45.22 96.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -68.93 -32.97 73.97 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.567 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 67.3 m -58.81 -36.32 74.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.339 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.02 -29.58 64.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.808 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.724 HD21 ' H ' ' A' ' 116' ' ' ASP . 0.3 OUTLIER -75.16 -66.35 0.77 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.828 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 171.84 41.54 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.509 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . 0.48 ' OH ' HD12 ' A' ' 115' ' ' LEU . 76.9 m-85 -115.08 134.34 55.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.833 0.349 . . . . 0.0 110.852 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 34.2 mt -105.77 141.78 23.41 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.773 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.18 154.17 14.67 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.535 2.157 . . . . 0.0 112.302 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -176.05 -82.33 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.492 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.47 -38.66 3.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.889 0.376 . . . . 0.0 110.956 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 169.64 -77.72 0.1 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.473 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . 0.466 HG22 ' O ' ' A' ' 154' ' ' THR . 9.7 m 62.93 17.58 10.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.731 0.3 . . . . 0.0 111.279 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -75.24 -42.0 29.73 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.571 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 25.5 m -65.29 -35.57 81.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.745 0.307 . . . . 0.0 110.982 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 2.7 mp -63.95 -45.05 90.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.465 HD21 ' CE2' ' A' ' 148' ' ' TYR . 37.3 mt -62.18 -40.46 96.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.828 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . 0.422 ' HG2' ' CE2' ' A' ' 139' ' ' TRP . 19.3 mtpt -72.01 -43.59 64.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 2.0 m -65.52 -46.08 81.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 36.6 m-70 -66.19 -43.6 86.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.769 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . 0.761 ' CZ ' HG21 ' A' ' 124' ' ' VAL . 87.3 t80 -60.36 -49.05 79.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.707 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.415 ' HA ' ' CB ' ' A' ' 167' ' ' TYR . 22.6 tt0 -94.07 71.75 3.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.703 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.56 -39.19 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.519 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.483 HG22 HD21 ' A' ' 94' ' ' LEU . 2.7 mp -127.92 -61.63 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.964 HD22 HD23 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -64.53 -44.56 90.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.7 -179.242 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . 0.513 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 3.9 t80 -61.65 -57.26 25.84 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.522 -179.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 11.0 Cg_endo -55.09 -25.89 47.65 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.22 1.947 . . . . 0.0 112.298 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -60.33 -53.07 61.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.722 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -57.53 -50.13 74.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 89.8 mt -57.65 -34.1 68.99 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -62.92 -31.27 72.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.81 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -69.03 -44.41 72.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.551 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 7.1 m -106.73 26.75 9.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.571 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.028 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.49 -179.924 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.12 94.94 0.65 Allowed 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.542 2.161 . . . . 0.0 112.343 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.643 HD13 ' HD2' ' A' ' 85' ' ' ARG . 10.8 mt 60.29 31.24 20.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.63 -68.53 2.34 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.551 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.62 37.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.883 0.373 . . . . 0.0 110.863 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.643 ' HD2' HD13 ' A' ' 82' ' ' LEU . 11.8 mtt85 -64.61 -49.93 69.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 22.4 m -61.51 -36.91 76.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.229 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.455 HH12 ' HB2' ' A' ' 119' ' ' ALA . 6.9 mtt180 -65.25 -43.5 91.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.965 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.0 -44.01 90.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.8 -43.05 85.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.111 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -58.63 -43.25 89.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.9 mp -64.74 -34.38 78.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -67.13 -36.86 82.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.029 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -66.68 -47.69 71.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.877 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.847 HD22 HD13 ' A' ' 105' ' ' LEU . 3.9 tt -62.64 -42.1 99.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.45 ' HB2' ' HB3' ' A' ' 105' ' ' LEU . . . -70.13 -45.45 66.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.2 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -64.9 -36.82 85.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.022 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -67.12 -49.22 65.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.116 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.443 ' HD1' HD23 ' A' ' 94' ' ' LEU . 47.6 m95 -65.97 -36.58 83.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.964 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.95 -41.95 75.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.987 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 50.0 mt -59.01 -31.63 68.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.684 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.96 -44.5 54.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.693 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 145.82 -14.63 1.76 Allowed Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.723 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 14.8 p -94.04 -162.48 0.95 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.743 0.306 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -156.94 133.38 9.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.839 0.352 . . . . 0.0 110.713 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.847 HD13 HD22 ' A' ' 94' ' ' LEU . 25.9 tp -65.48 119.41 10.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.401 ' O ' ' HD3' ' A' ' 108' ' ' PRO . 3.5 mttt -128.06 132.15 49.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.674 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.831 ' CD1' HD21 ' A' ' 117' ' ' LEU . 22.4 mm -105.82 101.06 30.97 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.195 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 106' ' ' LYS . 37.6 Cg_exo -60.18 165.38 10.8 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.494 2.129 . . . . 0.0 112.23 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 t -110.29 112.83 42.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.979 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.2 t -106.97 133.24 52.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.055 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.416 ' HG3' ' CD1' ' A' ' 148' ' ' TYR . 1.9 mm-40 59.32 35.99 23.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 59.74 35.75 22.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -150.44 153.64 36.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 32.0 mt -88.32 125.9 41.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.054 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.664 HD12 ' HG ' ' A' ' 146' ' ' LEU . 3.9 tp -90.01 143.62 26.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.955 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -78.29 174.21 11.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.785 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.831 HD21 ' CD1' ' A' ' 107' ' ' ILE . 5.0 mp -120.92 -55.72 1.97 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.999 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -55.9 -51.14 68.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.957 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.455 ' HB2' HH12 ' A' ' 87' ' ' ARG . . . -55.85 -45.91 78.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.383 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.679 ' O ' HG23 ' A' ' 124' ' ' VAL . 0.5 OUTLIER -58.17 -48.15 81.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 -179.81 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 16.7 t -57.99 -36.63 72.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.081 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.93 -45.69 73.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.047 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.724 HG21 HG13 ' A' ' 142' ' ' VAL . 38.7 mt -58.92 -44.01 89.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.354 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 120' ' ' LEU . 17.7 t -59.41 -50.18 80.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.801 0.334 . . . . 0.0 111.171 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.2 -41.32 88.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.318 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 15.5 p -56.82 -27.2 59.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.224 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.444 ' CB ' HG22 ' A' ' 133' ' ' VAL . 2.4 mptt -83.88 -25.76 29.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.973 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 153.55 -22.64 0.73 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.741 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.647 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 143.42 -56.07 0.56 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.444 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -179.67 -57.23 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.885 0.374 . . . . 0.0 110.855 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -59.93 -39.4 85.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.5 ttm -61.0 -34.03 74.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.444 HG22 ' CB ' ' A' ' 127' ' ' LYS . 21.7 t -66.99 -40.0 84.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.103 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 4.0 m -67.61 -46.07 73.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 10.4 mtpp -61.74 -38.09 86.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -85.41 -19.38 31.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.079 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 67.43 38.08 3.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.829 0.347 . . . . 0.0 110.803 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.72 ' O ' HG23 ' A' ' 142' ' ' VAL . 62.8 mmtt -91.17 10.94 24.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.287 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -65.23 -39.58 92.94 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.841 0.353 . . . . 0.0 110.816 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 3.6 m -64.31 -36.54 84.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -67.72 -35.67 79.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.848 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.724 HG13 HG21 ' A' ' 123' ' ' ILE . 21.9 t -59.73 -42.47 88.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.049 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -67.82 -39.16 89.85 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.426 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 3.2 m -59.96 -35.96 76.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.772 0.32 . . . . 0.0 110.842 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.53 -31.27 72.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.664 ' HG ' HD12 ' A' ' 115' ' ' LEU . 0.1 OUTLIER -72.33 -71.51 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 170.96 50.81 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.566 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . 0.681 ' HE2' HD21 ' A' ' 158' ' ' LEU . 23.3 m-85 -112.71 153.73 27.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.817 0.341 . . . . 0.0 110.953 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 5.4 mt -92.61 146.62 32.67 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.87 162.35 2.63 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.579 2.186 . . . . 0.0 112.265 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 144.83 -160.43 27.99 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.508 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 14.5 mtpt -105.2 128.93 53.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.787 0.327 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 106.88 -136.57 13.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.459 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 10.2 m 69.47 -63.53 0.38 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.802 0.334 . . . . 0.0 111.157 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -56.88 -33.95 64.47 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.602 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 67.8 m -60.89 -40.01 91.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.903 0.383 . . . . 0.0 110.933 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 5.2 mp -74.09 -41.47 61.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.681 HD21 ' HE2' ' A' ' 148' ' ' TYR . 11.3 mt -62.95 -45.11 94.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -48.09 83.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 48.0 m -67.12 -37.18 83.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . 0.4 ' CE1' ' HG2' ' A' ' 108' ' ' PRO . 18.6 m-70 -66.83 -48.01 70.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.962 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . 0.608 ' CE2' HG21 ' A' ' 124' ' ' VAL . 28.8 t80 -60.48 -49.02 79.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.838 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -88.82 54.82 3.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.796 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.03 -43.9 0.2 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.007 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.699 HG22 HD21 ' A' ' 94' ' ' LEU . 2.6 mp -132.16 -41.43 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.448 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.564 ' HG ' HD23 ' A' ' 117' ' ' LEU . 5.3 mp -73.51 -64.35 1.01 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.368 -179.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . 0.557 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 1.7 t80 -51.5 -54.99 33.24 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.985 -179.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' PRO . . . . . 0.557 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 10.4 Cg_endo -54.72 -26.05 45.18 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.333 2.022 . . . . 0.0 112.74 -179.343 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . 0.468 ' CD2' HD12 ' A' ' 94' ' ' LEU . 17.4 t80 -57.73 -53.2 60.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.877 0.37 . . . . 0.0 110.737 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -60.19 -49.95 75.58 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.774 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 0.533 HD12 ' HA ' ' A' ' 168' ' ' PRO . 3.8 mt -54.92 -34.47 63.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.993 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -65.71 -32.11 73.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.814 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 60.2 mm-40 -64.2 -44.33 92.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.613 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 3.3 m -110.91 26.29 10.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.511 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.44 -1.2 . . . . 0.0 112.52 179.997 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.161 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.37 -167.96 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.603 2.202 . . . . 0.0 112.233 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.2 mt -87.24 106.31 17.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.963 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -120.98 -52.96 0.24 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.441 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.2 m -116.66 100.03 7.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.897 0.38 . . . . 0.0 110.826 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.89 -50.36 17.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.133 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.4 HG23 ' N ' ' A' ' 87' ' ' ARG . 28.3 m -65.33 -40.58 88.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.302 -179.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.4 ' N ' HG23 ' A' ' 86' ' ' VAL . 12.6 mtp180 -65.83 -50.07 65.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.066 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.517 ' HA ' HD12 ' A' ' 91' ' ' LEU . 3.5 tt -61.31 -43.68 98.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.888 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -57.81 -42.78 84.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.092 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -67.11 -45.67 76.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.527 ' CD2' HD13 ' A' ' 117' ' ' LEU . 9.4 mt -59.95 -32.98 71.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -62.17 -47.09 86.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -62.49 -48.05 81.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.642 HD13 ' CG ' ' A' ' 169' ' ' TYR . 39.7 tp -64.14 -43.85 93.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.881 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.12 -45.4 66.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.302 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -69.26 -41.08 77.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.192 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -61.84 -49.49 76.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.044 -179.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 34.4 m95 -66.51 -37.79 85.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.075 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -55.81 -44.37 77.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.154 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 7.0 mt -60.33 -31.25 70.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -66.63 -39.27 88.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 115.79 17.66 6.35 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.632 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.21 -28.07 7.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.724 0.297 . . . . 0.0 110.983 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 7.1 m 64.42 147.58 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.566 HD12 ' HG ' ' A' ' 94' ' ' LEU . 4.4 tt -88.22 127.1 35.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.98 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -128.07 128.2 44.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.672 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 5.0 mt -102.81 94.04 4.88 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.164 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.25 132.94 23.56 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.508 2.139 . . . . 0.0 112.268 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.5 t -83.03 123.51 38.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.004 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.4 t -116.56 129.18 73.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.184 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 58.59 39.44 24.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.991 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.29 28.83 18.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -138.56 143.93 39.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 10.3 mt -78.75 123.56 35.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.066 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.465 ' CD1' HD23 ' A' ' 158' ' ' LEU . 4.0 tp -73.23 105.34 4.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -59.92 164.04 4.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.527 HD13 ' CD2' ' A' ' 91' ' ' LEU . 4.7 mp -118.97 -66.99 1.02 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.997 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -54.85 -51.24 66.51 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.858 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.74 -39.42 91.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.191 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.581 ' O ' HG23 ' A' ' 124' ' ' VAL . 27.7 tp -64.39 -47.16 80.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 41.9 t -57.99 -34.93 70.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.074 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.61 -45.87 74.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.123 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.796 HG21 HG13 ' A' ' 142' ' ' VAL . 45.1 mt -58.76 -44.84 91.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.395 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.612 HG21 ' CZ ' ' A' ' 162' ' ' TYR . 21.6 t -58.85 -50.32 79.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.132 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.19 -46.11 90.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.273 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 97.8 p -56.75 -24.52 50.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.34 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.419 ' HB2' HG22 ' A' ' 133' ' ' VAL . 11.0 mmtt -82.85 -22.57 34.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.862 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 149.8 -21.64 1.15 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.474 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.603 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 138.51 -56.42 0.65 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.287 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -179.02 -57.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.84 0.352 . . . . 0.0 110.842 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -61.24 -36.95 81.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.976 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 78.1 mmm -61.01 -34.79 75.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.519 HG12 ' CD1' ' A' ' 139' ' ' TRP . 16.5 t -67.02 -45.87 86.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.153 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 6.5 m -70.03 -31.93 69.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.999 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 13.8 mtmm -61.64 -33.02 73.22 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.001 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -112.75 2.91 16.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.496 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 57.93 35.41 25.31 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.823 0.344 . . . . 0.0 110.955 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.453 ' HB2' HG13 ' A' ' 133' ' ' VAL . 1.3 mmmm -75.55 -6.7 51.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.45 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.519 ' CD1' HG12 ' A' ' 133' ' ' VAL . 93.4 m95 -56.15 -34.46 66.17 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.804 0.335 . . . . 0.0 111.09 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 2.4 m -63.46 -33.02 74.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -71.97 -36.39 69.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.796 HG13 HG21 ' A' ' 123' ' ' ILE . 21.5 t -60.6 -48.97 86.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.516 ' HA3' HD11 ' A' ' 158' ' ' LEU . . . -65.34 -34.75 90.24 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.484 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 17.6 m -62.31 -41.83 98.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.943 0.401 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -61.94 -34.05 75.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.89 -29.34 70.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.826 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 117.95 33.61 1.25 Allowed Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.635 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . 0.585 ' CD2' HG21 ' A' ' 154' ' ' THR . 6.7 m-85 -86.89 154.47 20.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.764 0.316 . . . . 0.0 110.869 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 2.9 mt -86.41 134.54 37.99 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.6 173.55 0.24 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.457 2.105 . . . . 0.0 112.153 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 120.72 -104.02 0.95 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.55 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.53 173.95 7.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.809 0.338 . . . . 0.0 110.935 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -88.05 132.21 11.08 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.586 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . 0.585 HG21 ' CD2' ' A' ' 148' ' ' TYR . 1.7 m -106.68 -21.49 13.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.753 0.311 . . . . 0.0 111.066 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -56.89 -34.03 64.64 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.684 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 49.8 m -68.09 -36.59 80.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.924 0.393 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 4.0 mp -74.11 -41.31 61.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.516 HD11 ' HA3' ' A' ' 143' ' ' GLY . 8.9 mt -64.36 -39.09 93.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . 0.439 ' HG2' ' CE2' ' A' ' 139' ' ' TRP . 0.0 OUTLIER -64.0 -47.04 81.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.955 -179.879 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 2.4 m -63.83 -44.88 91.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.07 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 29.8 m-70 -72.02 -43.69 64.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.064 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . 0.612 ' CZ ' HG21 ' A' ' 124' ' ' VAL . 54.9 t80 -62.65 -49.06 76.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.132 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -94.43 67.55 3.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.101 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -160.69 -49.62 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 1.7 mp -123.61 -26.03 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.744 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 1.5 tt -92.47 -64.56 1.09 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.75 0.31 . . . . 0.0 111.365 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . 0.56 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 1.8 t80 -48.58 -55.32 20.05 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.774 -179.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' PRO . . . . . 0.56 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 11.0 Cg_endo -54.76 -29.25 61.34 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.392 2.061 . . . . 0.0 112.809 -179.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . 0.642 ' CG ' HD13 ' A' ' 94' ' ' LEU . 24.2 t80 -57.6 -53.21 60.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 0.0 110.874 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -58.11 -50.16 74.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 168' ' ' PRO . 5.8 mt -59.87 -34.15 72.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.979 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -58.73 -37.41 76.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -85.15 -42.78 14.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 12.9 m -97.92 31.16 2.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.156 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.274 -1.292 . . . . 0.0 112.608 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.203 0 N-CA-C 112.569 -0.212 . . . . 0.0 112.569 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.12 131.41 19.28 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.531 2.154 . . . . 0.0 112.288 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.9 mt -104.44 82.88 1.98 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -95.46 -81.02 1.54 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.57 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.5 m -111.81 27.42 9.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.759 0.314 . . . . 0.0 111.018 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 60.8 mtp85 -75.12 -47.92 26.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.809 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 10.6 m -66.68 -35.08 73.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.207 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.9 -50.02 70.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.71 ' HA ' HD12 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -64.54 -44.76 89.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.745 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.9 -39.32 77.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -58.69 -42.22 88.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.71 HD12 ' HA ' ' A' ' 88' ' ' LEU . 6.1 mt -62.17 -33.02 73.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.73 -46.6 74.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.972 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -61.56 -42.36 98.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.45 HD12 ' CD1' ' A' ' 169' ' ' TYR . 20.1 tp -66.53 -45.67 78.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.95 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.967 ' HB2' HD23 ' A' ' 105' ' ' LEU . . . -70.09 -38.51 75.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.386 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.0 mttt -74.41 -44.62 51.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.14 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -62.37 -49.27 76.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.99 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 39.3 m95 -66.36 -33.14 75.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.939 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.83 -39.34 71.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.006 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.3 mp -59.04 -33.47 70.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -70.03 -44.35 69.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 112.5 23.99 5.19 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.494 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.6 -25.01 13.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.748 0.309 . . . . 0.0 111.074 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 7.8 m 65.38 128.51 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.833 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.967 HD23 ' HB2' ' A' ' 95' ' ' ALA . 45.4 tp -78.93 126.4 30.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.013 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.422 ' O ' ' HD3' ' A' ' 108' ' ' PRO . 1.2 mttp -128.14 132.4 48.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.619 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.1 mp -108.11 98.53 26.83 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.284 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.422 ' HD3' ' O ' ' A' ' 106' ' ' LYS . 17.7 Cg_exo -66.57 176.29 4.35 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.707 2.271 . . . . 0.0 112.305 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 31.2 t -122.88 120.87 61.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.77 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 20.8 t -109.62 122.1 63.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.393 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 55.56 45.09 25.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.149 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.99 27.53 13.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.94 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 5.0 tttm -136.92 140.33 42.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.786 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.542 ' H ' HD12 ' A' ' 114' ' ' ILE . 3.5 mp -69.66 138.54 21.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.492 HD21 HD22 ' A' ' 158' ' ' LEU . 0.5 OUTLIER -87.04 112.7 22.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.017 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -69.03 157.65 36.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.804 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.727 HD23 ' HG ' ' A' ' 166' ' ' LEU . 4.6 mp -115.88 -58.25 2.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.066 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.42 ' CE2' ' HE3' ' A' ' 122' ' ' LYS . 13.7 t80 -56.22 -51.12 69.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.04 -44.9 95.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.322 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.686 ' O ' HG23 ' A' ' 124' ' ' VAL . 0.7 OUTLIER -60.76 -48.98 79.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.059 -179.716 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.5 t -58.63 -35.65 72.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.106 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.42 ' HE3' ' CE2' ' A' ' 118' ' ' TYR . 20.6 mttt -67.95 -46.69 70.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.064 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.796 HG21 HG13 ' A' ' 142' ' ' VAL . 23.6 mt -58.96 -39.75 78.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.384 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 120' ' ' LEU . 22.1 t -62.26 -50.27 80.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.102 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.5 -38.57 84.74 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.288 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 25.9 p -56.76 -26.74 58.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.276 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.525 ' HB2' HG22 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -83.91 -25.59 30.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.916 179.887 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 152.3 -22.44 0.86 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.614 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.678 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 145.88 -58.96 0.5 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.346 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.427 ' HB2' ' CZ ' ' A' ' 167' ' ' TYR . 19.7 t80 -179.48 -56.92 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.832 0.349 . . . . 0.0 110.861 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -57.44 -39.23 75.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.999 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 4.3 mmm -60.95 -37.63 83.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.756 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.667 HG12 ' CD1' ' A' ' 139' ' ' TRP . 25.0 t -67.01 -44.45 88.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.074 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.2 m -69.11 -45.74 69.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.66 -35.81 79.03 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.954 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -89.55 -19.62 24.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.018 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.94 37.75 2.99 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.883 0.373 . . . . 0.0 111.002 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -97.43 18.26 15.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.667 ' CD1' HG12 ' A' ' 133' ' ' VAL . 62.0 m95 -67.06 -34.9 78.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.875 0.369 . . . . 0.0 110.897 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 5.4 m -59.94 -38.86 83.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.832 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -62.02 -32.29 72.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.796 HG13 HG21 ' A' ' 123' ' ' ILE . 21.6 t -63.51 -49.0 84.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.152 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -61.52 -32.76 82.38 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.606 -0.806 . . . . 0.0 112.511 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 22.4 m -65.92 -43.24 88.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.787 0.327 . . . . 0.0 110.843 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -31.27 71.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.492 HD11 HD23 ' A' ' 120' ' ' LEU . 7.1 mt -73.73 -31.33 63.31 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.813 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 122.1 45.08 0.34 Allowed Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.576 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . 0.583 ' CE2' HD21 ' A' ' 158' ' ' LEU . 5.9 m-85 -101.21 158.95 15.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.804 0.335 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 16.4 mt -103.58 153.82 38.33 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -68.6 132.46 25.33 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.536 2.157 . . . . 0.0 112.238 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 179.63 -171.26 42.9 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.49 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 47.4 mttp -96.39 143.09 27.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.908 0.385 . . . . 0.0 110.782 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 60.13 90.64 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.588 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 49.8 m -158.67 -53.66 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.765 0.316 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -61.49 -38.84 96.45 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.634 -0.794 . . . . 0.0 112.499 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 67.9 m -66.04 -34.4 77.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.852 0.358 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 9.7 mp -65.29 -46.06 81.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.803 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.583 HD21 ' CE2' ' A' ' 148' ' ' TYR . 44.8 mt -60.88 -35.44 76.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.956 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . 0.417 ' HG2' ' CE2' ' A' ' 139' ' ' TRP . 0.1 OUTLIER -68.76 -38.16 79.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.923 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 68.3 m -66.55 -45.7 78.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -63.93 -43.11 96.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . 0.489 ' CD1' HD12 ' A' ' 120' ' ' LEU . 30.0 t80 -62.91 -35.5 80.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.403 ' OE1' ' CZ ' ' A' ' 130' ' ' PHE . 11.7 tp10 -97.07 44.79 1.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.828 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.64 -46.39 0.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 1.8 mp -134.8 -36.18 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.394 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.727 ' HG ' HD23 ' A' ' 117' ' ' LEU . 5.9 mp -69.5 -74.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.494 -179.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . 0.581 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 2.1 t80 -54.74 -53.45 60.41 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.292 -0.413 . . . . 0.0 112.045 -179.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' PRO . . . . . 0.581 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 9.3 Cg_endo -54.49 -25.77 41.91 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.253 1.968 . . . . 0.0 112.826 -179.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . 0.45 ' CD1' HD12 ' A' ' 94' ' ' LEU . 58.9 t80 -58.61 -53.08 62.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.757 0.313 . . . . 0.0 110.661 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.43 -50.15 70.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 0.54 HD22 ' O ' ' A' ' 175' ' ' GLY . 51.5 mt -54.9 -33.9 62.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.068 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -68.38 -32.0 71.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . 0.444 ' NE2' ' CE1' ' A' ' 169' ' ' TYR . 60.2 mm-40 -66.39 -44.05 84.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.963 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 2.3 m -179.96 39.21 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.923 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . 0.54 ' O ' HD22 ' A' ' 171' ' ' LEU . . . . . . . . 0 C--O 1.25 1.132 0 CA-C-O 118.404 -1.22 . . . . 0.0 112.571 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.237 0 N-CA-C 112.593 -0.203 . . . . 0.0 112.593 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -74.33 103.05 1.62 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.657 2.238 . . . . 0.0 112.306 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.8 mp -94.5 111.6 23.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -122.04 -100.9 1.64 Allowed Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.512 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.8 p -127.67 87.89 2.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.942 0.401 . . . . 0.0 110.999 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -73.83 -49.86 23.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.938 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 17.1 m -58.27 -35.87 55.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.239 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.3 ttp180 -63.49 -44.69 93.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.49 -43.49 96.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.8 -43.08 85.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.157 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -60.23 -41.93 94.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.083 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.82 -41.48 97.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.073 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -61.34 -37.11 82.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.231 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -68.13 -43.24 78.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.03 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.544 HD12 ' CD2' ' A' ' 169' ' ' TYR . 4.2 tt -68.0 -42.92 79.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.962 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.04 -44.98 68.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.247 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.92 -41.81 95.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.161 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -59.56 -49.12 79.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.487 ' CD1' HD23 ' A' ' 105' ' ' LEU . 42.6 m95 -66.03 -36.14 82.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.9 -39.79 72.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 64.1 mt -59.15 -38.69 80.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.807 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -63.01 -45.03 94.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.835 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 114.86 22.94 4.82 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.487 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -103.93 -25.35 13.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.729 0.299 . . . . 0.0 111.02 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 10.6 m 68.84 119.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.753 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.537 HD21 ' CG2' ' A' ' 165' ' ' ILE . 0.4 OUTLIER -79.23 126.18 30.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.081 -179.826 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.496 ' N ' HD13 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -124.05 109.85 14.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.759 179.813 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 4.7 mt -71.89 110.91 8.76 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.08 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -69.03 156.16 66.12 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.446 2.097 . . . . 0.0 112.198 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 t -117.01 112.78 40.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.174 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.4 t -112.07 135.29 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 60.49 32.93 20.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 61.0 32.27 19.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -151.34 155.11 38.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 32.2 mt -77.22 132.49 32.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.088 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.595 HD21 HD22 ' A' ' 120' ' ' LEU . 7.6 tt -87.17 122.53 31.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.046 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -67.13 142.23 57.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.784 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.487 ' CA ' HD11 ' A' ' 166' ' ' LEU . 14.0 mt -98.58 -54.45 3.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.974 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -56.93 -51.03 70.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.2 -46.65 89.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.16 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.748 ' O ' HG23 ' A' ' 124' ' ' VAL . 52.3 tp -62.61 -41.68 99.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.021 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.0 t -58.3 -38.73 77.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.078 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.1 mmtm -68.11 -45.03 74.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.08 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 1.032 HG21 HG13 ' A' ' 142' ' ' VAL . 55.1 mt -58.73 -38.67 73.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.368 -179.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 120' ' ' LEU . 16.9 t -68.07 -50.29 60.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.101 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.34 -44.8 95.63 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.249 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 35.9 p -56.71 -24.35 48.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.224 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.512 ' CB ' HG22 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -82.77 -24.55 33.41 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.86 179.841 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 151.85 -22.4 0.9 Allowed Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.625 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.632 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 145.38 -61.27 0.48 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.507 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.407 ' CZ ' ' HE2' ' A' ' 159' ' ' LYS . 88.7 t80 -178.83 -59.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.899 0.38 . . . . 0.0 110.821 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -58.96 -37.23 76.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.987 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -61.0 -38.32 85.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.783 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.749 HG12 ' CD1' ' A' ' 139' ' ' TRP . 16.2 t -66.99 -39.91 84.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.056 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.46 -46.01 74.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -61.96 -38.11 87.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.981 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -86.6 -20.67 27.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.039 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 10.2 tttt 65.88 37.1 5.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.914 0.388 . . . . 0.0 110.816 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.78 8.5 28.65 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.358 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.749 ' CD1' HG12 ' A' ' 133' ' ' VAL . 85.8 m95 -62.25 -32.01 72.65 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.796 0.332 . . . . 0.0 110.73 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 7.4 m -60.84 -37.43 82.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.749 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -69.66 -33.38 72.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.8 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 1.032 HG13 HG21 ' A' ' 123' ' ' ILE . 29.9 t -59.95 -47.06 93.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.007 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -64.26 -35.31 91.81 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.415 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 3.2 m -61.24 -37.76 84.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.824 0.345 . . . . 0.0 110.809 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.25 -31.61 72.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 9.3 mp -78.86 -59.32 2.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 156.1 43.99 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.475 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . 0.746 ' CE2' HD21 ' A' ' 158' ' ' LEU . 7.8 m-85 -105.58 137.43 43.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.892 0.377 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 24.2 mt -104.65 153.81 38.95 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.58 117.71 5.06 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.516 2.144 . . . . 0.0 112.313 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -131.67 -112.32 1.43 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.534 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -105.66 -60.23 1.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.797 0.332 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . 0.51 ' O ' HD23 ' A' ' 157' ' ' LEU . . . -163.87 91.37 0.11 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.414 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 5.2 m -110.66 -30.26 7.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.8 0.334 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -58.42 -41.9 95.49 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.525 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 1.6 m -63.53 -31.22 72.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.883 0.373 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.51 HD23 ' O ' ' A' ' 153' ' ' GLY . 4.0 mm? -72.95 -32.64 65.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.954 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.746 HD21 ' CE2' ' A' ' 148' ' ' TYR . 77.3 mt -67.9 -44.94 75.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . 0.407 ' HE2' ' CZ ' ' A' ' 130' ' ' PHE . 3.3 tmtt? -61.93 -44.92 95.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.922 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 5.3 m -66.8 -43.1 84.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -65.03 -43.61 91.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . 0.439 ' CE2' ' CD1' ' A' ' 167' ' ' TYR . 70.9 t80 -61.37 -49.01 78.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.958 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -90.93 70.16 6.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.36 -41.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.101 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.537 ' CG2' HD21 ' A' ' 105' ' ' LEU . 1.9 mp -129.39 -42.1 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.524 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.487 HD11 ' CA ' ' A' ' 117' ' ' LEU . 1.3 tt -78.03 -57.31 3.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.531 -179.422 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . 0.55 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 1.5 t80 -55.29 -55.45 39.49 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.824 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 10.4 Cg_endo -54.78 -25.72 44.14 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.401 2.068 . . . . 0.0 112.849 -179.375 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . 0.544 ' CD2' HD12 ' A' ' 94' ' ' LEU . 27.7 t80 -56.8 -53.19 60.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 110.779 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.94 -50.05 74.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.042 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 0.501 ' H ' HD12 ' A' ' 171' ' ' LEU . 6.2 mp -56.07 -34.0 65.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.16 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -65.32 -31.34 72.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 -66.39 -44.32 83.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.572 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -110.27 26.83 10.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.52 179.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.324 -1.264 . . . . 0.0 112.491 180.0 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.276 0 N-CA-C 112.583 -0.207 . . . . 0.0 112.583 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.23 116.12 4.56 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.482 2.121 . . . . 0.0 112.3 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.404 HD23 HG11 ' A' ' 86' ' ' VAL . 3.1 mt -109.2 119.12 38.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -163.0 -92.73 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.57 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.1 m -109.85 -29.53 8.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.726 0.298 . . . . 0.0 110.968 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.31 -44.95 92.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.983 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.404 HG11 HD23 ' A' ' 82' ' ' LEU . 15.6 m -60.0 -35.98 64.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.153 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -63.23 -49.18 75.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.24 -42.74 99.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.77 -42.91 85.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -58.38 -48.97 78.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.438 HD11 HD13 ' A' ' 117' ' ' LEU . 5.2 mp -60.02 -32.97 71.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.05 -45.44 93.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.939 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 61.7 mm-40 -66.32 -40.05 89.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.542 ' HG ' HD13 ' A' ' 105' ' ' LEU . 56.0 tp -64.97 -45.21 86.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.801 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 1.054 ' HB2' HD22 ' A' ' 105' ' ' LEU . . . -69.85 -43.13 72.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.5 mmtm -66.29 -43.33 86.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.467 ' HA ' HD12 ' A' ' 100' ' ' LEU . 66.8 t80 -63.52 -49.12 74.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.048 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 33.8 m95 -66.02 -36.14 82.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -55.8 -42.59 75.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.039 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' A' ' 97' ' ' PHE . 4.7 mt -60.99 -31.82 71.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.833 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -70.45 -41.72 72.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 112.4 22.87 5.66 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.498 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.09 -27.0 13.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.81 0.338 . . . . 0.0 111.06 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 23.6 m 65.54 105.61 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 1.054 HD22 ' HB2' ' A' ' 95' ' ' ALA . 0.7 OUTLIER -64.31 134.79 55.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.018 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -128.03 132.17 49.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.751 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.0 mp -99.19 96.96 4.68 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.234 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.71 132.98 24.56 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.469 2.113 . . . . 0.0 112.351 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 t -94.91 116.69 36.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.986 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 18.2 t -106.94 123.12 61.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.196 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.552 ' OE2' HD12 ' A' ' 149' ' ' LEU . 7.3 mm-40 59.99 38.44 20.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.38 30.02 19.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.956 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.8 mtmp? -142.51 144.86 33.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.558 ' H ' HD12 ' A' ' 114' ' ' ILE . 3.6 mp -73.74 131.36 35.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.079 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.559 HD23 ' O ' ' A' ' 116' ' ' ASP . 7.9 tt -79.41 119.19 22.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.559 ' O ' HD23 ' A' ' 115' ' ' LEU . 10.1 t0 -60.28 152.45 24.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.823 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.438 HD13 HD11 ' A' ' 91' ' ' LEU . 4.9 mp -124.6 -54.47 1.66 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.08 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -55.24 -51.18 67.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.126 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.19 -47.14 80.92 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.333 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.509 ' CD1' HG11 ' A' ' 142' ' ' VAL . 49.6 tp -58.94 -41.23 86.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.251 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.7 t -58.02 -38.91 77.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.15 -40.18 82.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.105 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.562 HD13 HG13 ' A' ' 142' ' ' VAL . 71.3 mt -58.91 -48.93 84.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.369 -179.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.704 HG12 ' O ' ' A' ' 129' ' ' GLY . 19.6 t -57.22 -50.24 77.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.31 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.61 -43.21 99.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.232 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 17.4 p -56.74 -24.83 52.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.258 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.482 ' CB ' HG22 ' A' ' 133' ' ' VAL . 0.2 OUTLIER -84.12 -24.19 30.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.964 179.837 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 148.62 -19.4 1.3 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.668 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.704 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 144.87 -55.62 0.55 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.45 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.446 ' HB2' ' CZ ' ' A' ' 167' ' ' TYR . 12.1 t80 -178.69 -55.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.81 0.338 . . . . 0.0 110.972 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -58.33 -38.62 77.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.925 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.01 -35.08 75.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.482 HG22 ' CB ' ' A' ' 127' ' ' LYS . 30.4 t -67.03 -43.29 89.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.012 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 4.1 m -69.69 -45.4 68.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 36.8 mttt -61.77 -32.68 72.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -92.61 -13.54 29.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.228 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 66.33 31.69 8.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.876 0.37 . . . . 0.0 110.774 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.627 ' O ' HG23 ' A' ' 142' ' ' VAL . 17.3 mmtt -76.76 -13.81 59.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.28 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.428 ' CE2' ' HG2' ' A' ' 159' ' ' LYS . 85.5 m95 -53.05 -38.54 62.53 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.79 0.329 . . . . 0.0 111.107 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 40.8 m -64.22 -40.54 96.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.762 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 9.1 mmmt -68.12 -33.41 74.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.859 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 138' ' ' LYS . 35.4 t -60.44 -48.61 87.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.131 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -60.08 -39.15 95.39 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.523 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 70.4 m -67.07 -36.8 82.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.792 0.329 . . . . 0.0 110.946 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -34.1 76.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -68.66 -58.17 4.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.816 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 145.0 44.98 0.04 OUTLIER Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.58 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . 0.505 ' CZ ' HD21 ' A' ' 158' ' ' LEU . 5.2 m-85 -91.64 176.7 6.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.765 0.317 . . . . 0.0 110.999 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.552 HD12 ' OE2' ' A' ' 111' ' ' GLU . 1.5 mt -120.9 154.01 57.51 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.68 98.8 0.8 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.519 2.146 . . . . 0.0 112.264 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -135.92 -160.74 8.96 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.531 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 19.2 mttp -79.83 102.73 9.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.778 0.323 . . . . 0.0 110.943 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 66.33 135.38 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.478 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -159.7 -46.29 0.05 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.795 0.331 . . . . 0.0 110.91 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -63.6 -41.75 99.02 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.544 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 2.3 m -64.49 -32.58 74.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 21.3 mt -65.28 -46.02 82.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.909 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.505 HD21 ' CZ ' ' A' ' 148' ' ' TYR . 75.6 mt -60.5 -42.37 96.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.828 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . 0.428 ' HG2' ' CE2' ' A' ' 139' ' ' TRP . 0.0 OUTLIER -65.36 -40.93 94.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.817 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 13.4 m -67.0 -40.81 87.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 51.6 m-70 -72.05 -45.98 58.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . 0.604 ' CE2' HG21 ' A' ' 124' ' ' VAL . 75.2 t80 -59.04 -48.07 82.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -88.08 55.1 3.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.763 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . 0.501 ' HB3' HD12 ' A' ' 165' ' ' ILE . 0.0 OUTLIER -144.42 -43.94 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.098 -179.859 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.792 HG21 HD12 ' A' ' 105' ' ' LEU . 2.6 mp -131.43 -42.74 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.43 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.488 HD13 ' CE1' ' A' ' 162' ' ' TYR . 0.5 OUTLIER -69.75 -68.01 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.453 -179.535 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . 0.559 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 3.1 t80 -48.53 -54.61 24.93 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.978 -179.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' PRO . . . . . 0.559 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 10.6 Cg_endo -54.86 -25.48 43.66 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.303 2.002 . . . . 0.0 112.534 -179.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . 0.465 ' CG ' HD13 ' A' ' 94' ' ' LEU . 17.6 t80 -56.91 -53.2 60.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.829 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.79 -50.06 75.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.925 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 0.54 HD12 ' HA ' ' A' ' 168' ' ' PRO . 7.7 mt -58.87 -40.02 83.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.126 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -58.65 -37.24 75.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.052 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -85.02 -43.02 14.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.991 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 3.0 m -97.18 30.55 2.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.058 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.301 -1.277 . . . . 0.0 112.533 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.49 -45.55 1.17 Allowed 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.51 2.14 . . . . 0.0 112.309 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.8 mp -81.75 97.34 7.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -91.15 -116.75 2.01 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.492 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.1 m -148.08 51.52 1.03 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.993 0.425 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 41.7 mtt180 -67.17 -47.38 71.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 8.1 m -66.1 -35.01 74.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.218 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.99 -46.17 75.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.22 -43.6 94.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -57.87 -42.04 83.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.118 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -58.05 -50.07 74.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.01 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.7 mp -61.0 -32.9 72.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.96 -46.64 89.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.998 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 -61.46 -42.92 99.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.942 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.701 HD11 ' HA ' ' A' ' 166' ' ' LEU . 0.8 OUTLIER -68.0 -39.61 83.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.796 -179.868 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.742 ' HB2' HD22 ' A' ' 105' ' ' LEU . . . -69.98 -43.06 72.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.172 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.456 ' O ' HD23 ' A' ' 100' ' ' LEU . 1.7 mtmt -71.08 -33.0 69.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.993 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -66.05 -49.27 68.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.007 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.416 ' HD1' HD23 ' A' ' 94' ' ' LEU . 44.5 m95 -66.13 -35.55 80.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.976 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.78 -45.14 78.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.057 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.456 HD23 ' O ' ' A' ' 96' ' ' LYS . 4.0 mm? -63.46 -31.18 72.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.591 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -70.89 -39.23 72.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.757 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 137.58 -9.49 3.72 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.875 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.9 -164.26 1.09 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.856 0.36 . . . . 0.0 110.86 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.0 t -152.4 143.13 22.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.743 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.742 HD22 ' HB2' ' A' ' 95' ' ' ALA . 0.6 OUTLIER -84.21 120.43 26.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -127.81 128.07 44.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.722 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.7 mp -98.53 100.82 10.07 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.271 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.19 -179.75 4.25 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.495 2.13 . . . . 0.0 112.338 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.5 t -124.67 128.03 73.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.032 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 20.6 t -109.67 124.09 66.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.286 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 66.95 -66.84 0.18 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.093 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.42 38.88 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.752 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.53 160.3 34.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.679 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 3.7 mt -86.86 129.55 38.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.181 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 7.6 tt -76.91 103.05 6.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -58.47 159.22 6.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.969 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.814 HD22 HD22 ' A' ' 166' ' ' LEU . 16.3 mt -116.65 -59.78 1.93 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.424 ' CE2' ' HE3' ' A' ' 122' ' ' LYS . 14.5 t80 -57.08 -51.25 70.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.855 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.16 -42.39 99.42 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.078 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.797 ' O ' HG23 ' A' ' 124' ' ' VAL . 31.8 tp -69.04 -33.02 72.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.976 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 37.0 t -69.08 -35.89 77.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.029 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.424 ' HE3' ' CE2' ' A' ' 118' ' ' TYR . 3.2 mttm -67.77 -45.3 75.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.992 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.519 HG22 ' HE2' ' A' ' 127' ' ' LYS . 56.2 mt -58.83 -38.85 75.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.404 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 120' ' ' LEU . 22.7 t -64.93 -50.23 76.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.235 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.33 -44.52 95.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.313 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 59.9 p -56.79 -26.75 58.49 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.251 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.7 ' HD2' HG22 ' A' ' 133' ' ' VAL . 11.2 mttm -84.17 -26.36 28.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.996 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 156.38 -23.98 0.51 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.608 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.562 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 134.63 -49.43 0.9 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.529 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.452 ' CD2' ' CZ ' ' A' ' 167' ' ' TYR . 7.9 t80 -176.72 -53.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.94 0.4 . . . . 0.0 110.893 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -59.68 -42.26 92.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 16.8 mmt -61.02 -39.06 88.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.974 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.7 HG22 ' HD2' ' A' ' 127' ' ' LYS . 20.7 t -66.88 -46.86 84.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.063 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.8 m -69.96 -39.09 76.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.978 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -61.69 -31.79 71.94 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -103.0 -0.53 30.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.447 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp 59.71 30.81 20.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.893 0.378 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.651 ' O ' HG23 ' A' ' 142' ' ' VAL . 0.1 OUTLIER -72.79 -11.92 60.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.296 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 86.9 m95 -53.76 -39.72 65.59 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.851 0.358 . . . . 0.0 111.122 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 75.6 m -69.98 -33.03 71.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.95 -31.75 66.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 138' ' ' LYS . 24.7 t -67.69 -47.16 80.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.106 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -63.96 -40.09 97.93 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.534 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 3.1 m -62.7 -37.29 85.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.837 0.351 . . . . 0.0 110.891 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.05 -31.7 72.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -77.53 -58.47 3.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.949 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 166.23 42.4 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.536 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . 0.537 ' CE2' HD21 ' A' ' 158' ' ' LEU . 5.5 m-85 -110.53 133.94 52.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.368 . . . . 0.0 110.877 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 77.4 mt -87.75 150.56 48.47 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.65 93.13 0.6 Allowed 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.485 2.123 . . . . 0.0 112.329 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -117.49 176.87 16.37 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.557 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -65.29 101.43 0.56 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.814 0.34 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 76.5 129.15 0.33 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.471 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -161.53 -44.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 110.913 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -57.05 -37.32 78.78 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.544 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 2.5 m -67.24 -35.88 80.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.774 0.321 . . . . 0.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 3.1 mt -74.03 -46.06 45.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.769 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.537 HD21 ' CE2' ' A' ' 148' ' ' TYR . 6.1 mt -61.65 -44.98 95.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.66 -39.38 94.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 17.8 m -67.11 -46.13 75.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.068 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 26.7 m-70 -71.02 -38.8 72.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.015 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . 0.822 ' CD1' HD11 ' A' ' 166' ' ' LEU . 85.1 t80 -68.04 -34.93 77.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.027 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.429 ' HG3' ' CD2' ' A' ' 167' ' ' TYR . 29.7 tt0 -107.41 77.73 1.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.082 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . 0.525 ' HG3' HD12 ' A' ' 165' ' ' ILE . 10.0 ptp180 -169.13 -34.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.781 179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.525 HD12 ' HG3' ' A' ' 164' ' ' ARG . 1.5 mt -124.54 -55.39 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.822 HD11 ' CD1' ' A' ' 162' ' ' TYR . 0.6 OUTLIER -77.49 -36.48 52.66 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -178.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . 0.531 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 5.1 t80 -68.26 -55.97 11.59 Favored Pre-proline 0 C--N 1.329 -0.295 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 10.5 Cg_endo -54.84 -25.86 45.35 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.319 2.013 . . . . 0.0 112.389 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . 0.426 ' CD1' ' HG ' ' A' ' 94' ' ' LEU . 88.4 t80 -59.04 -53.16 61.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.821 0.344 . . . . 0.0 110.679 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.07 -50.18 75.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.821 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 0.41 HD22 ' N ' ' A' ' 171' ' ' LEU . 4.0 mm? -58.94 -33.94 71.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -57.35 -41.93 81.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.938 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -85.08 -40.55 16.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.056 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 2.5 m -97.85 31.39 2.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.979 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.404 -1.22 . . . . 0.0 112.584 -179.964 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.169 0 N-CA-C 112.539 -0.224 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.63 -21.01 34.68 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.583 2.189 . . . . 0.0 112.392 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.1 mp -127.69 125.86 40.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.014 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 123.43 -33.36 4.01 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.665 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.69 13.28 20.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.596 0.236 . . . . 0.0 111.311 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -75.17 -50.94 14.66 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.894 0.378 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 18.7 m -60.64 -39.0 80.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.262 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -50.04 70.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.45 -40.4 96.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -57.84 -42.53 84.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -59.8 -42.05 92.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.096 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.423 HD22 HD12 ' A' ' 117' ' ' LEU . 31.4 mt -66.81 -40.3 88.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -61.06 -42.45 98.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -62.82 -43.24 99.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.956 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.706 HD22 ' CD1' ' A' ' 105' ' ' LEU . 0.5 OUTLIER -67.91 -38.9 83.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.475 ' HB2' ' HB3' ' A' ' 105' ' ' LEU . . . -67.2 -43.96 80.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.213 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -64.91 -43.16 93.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.56 ' HA ' HD12 ' A' ' 100' ' ' LEU . 55.1 t80 -60.19 -49.01 79.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.054 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.565 ' HD1' HD23 ' A' ' 94' ' ' LEU . 29.5 m95 -65.74 -38.42 89.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.037 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -55.85 -43.16 76.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.036 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.56 HD12 ' HA ' ' A' ' 97' ' ' PHE . 5.3 mt -59.03 -28.54 66.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.702 179.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -78.95 -45.3 20.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.837 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.91 -16.36 1.2 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.795 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.03 -165.48 1.36 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.76 0.314 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.402 ' O ' HG23 ' A' ' 104' ' ' THR . 9.6 t -160.99 121.73 2.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.826 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.706 ' CD1' HD22 ' A' ' 94' ' ' LEU . 0.5 OUTLIER -64.4 118.53 8.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.05 109.96 12.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.502 ' H ' HD12 ' A' ' 107' ' ' ILE . 3.2 mp -69.29 111.63 9.26 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.205 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -76.92 165.62 28.15 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.455 2.104 . . . . 0.0 112.458 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 t -114.17 105.89 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.038 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.4 t -111.42 136.5 47.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.319 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 57.91 37.1 26.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.056 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.59 29.62 18.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.846 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.31 156.65 42.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.804 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 6.3 mt -71.71 140.53 18.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.041 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.476 HD11 HD23 ' A' ' 158' ' ' LEU . 2.8 tt -92.51 100.47 13.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -60.24 137.16 58.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.725 HD22 HD23 ' A' ' 166' ' ' LEU . 21.1 mt -102.07 -47.96 4.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -60.46 -51.31 70.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.79 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.91 -45.31 95.15 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.241 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.871 ' O ' HG23 ' A' ' 124' ' ' VAL . 13.6 tp -58.53 -33.02 69.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.053 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.3 t -67.99 -41.54 82.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.982 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -68.03 -43.04 79.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.035 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.956 HG21 HG13 ' A' ' 142' ' ' VAL . 10.7 mt -58.76 -49.12 83.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.303 -179.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.871 HG23 ' O ' ' A' ' 120' ' ' LEU . 20.1 t -59.34 -50.05 81.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.207 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.28 -43.99 83.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.278 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 51.5 p -56.85 -27.03 59.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.148 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -83.15 -26.26 31.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.832 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 155.52 -23.73 0.57 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.629 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.609 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 141.28 -56.87 0.59 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.47 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -179.24 -57.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.762 0.315 . . . . 0.0 110.815 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -60.1 -36.26 77.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.08 -39.3 89.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.737 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 15.8 t -66.99 -40.08 84.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.059 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.3 m -69.75 -43.69 71.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -61.79 -37.97 86.34 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -89.8 -17.3 28.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 67.4 39.34 2.96 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.802 0.335 . . . . 0.0 110.851 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 3.4 mmmt -96.04 19.56 11.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.128 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.411 ' CD1' ' HD2' ' A' ' 159' ' ' LYS . 63.3 m95 -67.1 -36.87 82.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.814 0.34 . . . . 0.0 110.881 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.08 -36.4 83.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.965 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.53 -38.5 91.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.769 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.956 HG13 HG21 ' A' ' 123' ' ' ILE . 32.4 t -60.37 -48.63 87.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.061 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -60.65 -36.21 91.11 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.432 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 12.7 m -63.17 -35.81 81.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.329 . . . . 0.0 110.976 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.93 -34.1 73.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.939 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 2.8 mt -72.28 -69.45 0.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.744 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 158.41 41.13 0.02 OUTLIER Glycine 0 N--CA 1.453 -0.196 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.49 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -112.2 113.72 26.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.703 0.287 . . . . 0.0 110.924 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 37.7 mt -59.76 117.76 25.86 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.823 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -55.94 -166.43 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.504 2.136 . . . . 0.0 112.289 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 134.85 -108.86 0.73 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.437 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -124.53 103.6 8.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.765 0.316 . . . . 0.0 110.868 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 102.37 -132.5 11.02 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.492 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 9.5 m 69.34 -63.62 0.37 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.765 0.317 . . . . 0.0 111.227 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -56.9 -34.01 64.63 Favored Glycine 0 C--N 1.329 0.168 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.54 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 39.8 m -65.39 -40.68 93.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.908 0.385 . . . . 0.0 110.77 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 2.3 mt -72.39 -32.12 66.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.476 HD23 HD11 ' A' ' 115' ' ' LEU . 23.4 mt -62.41 -44.87 95.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.931 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . 0.411 ' HD2' ' CD1' ' A' ' 139' ' ' TRP . 2.1 mtpt -60.97 -47.48 86.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 40.1 m -67.11 -46.01 75.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.977 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -64.8 -38.01 89.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.967 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . 0.797 ' CD1' HD11 ' A' ' 166' ' ' LEU . 80.2 t80 -70.03 -49.13 54.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.966 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.409 ' HA ' ' CB ' ' A' ' 167' ' ' TYR . 4.3 tm-20 -95.12 72.88 3.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 -164.93 -35.33 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.566 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.491 HG21 HD12 ' A' ' 105' ' ' LEU . 3.3 mt -121.76 -63.8 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -179.446 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.797 HD11 ' CD1' ' A' ' 162' ' ' TYR . 3.8 pp -71.03 -47.09 60.6 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -178.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . 0.688 ' N ' HD12 ' A' ' 166' ' ' LEU . 2.0 t80 -56.11 -56.06 35.03 Favored Pre-proline 0 C--N 1.329 -0.32 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -179.302 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' PRO . . . . . 0.693 ' HA ' HD12 ' A' ' 171' ' ' LEU . 18.5 Cg_endo -59.57 -25.99 80.61 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.279 1.986 . . . . 0.0 112.607 -179.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -57.37 -53.18 61.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.885 0.374 . . . . 0.0 110.877 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.34 -50.25 74.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.01 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 0.693 HD12 ' HA ' ' A' ' 168' ' ' PRO . 2.3 mt -59.88 -35.21 74.35 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.108 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -57.25 -40.89 78.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.056 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -84.98 -39.68 17.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.037 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 8.6 m -98.04 30.76 2.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.03 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.342 -1.254 . . . . 0.0 112.47 -179.916 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.19 0 N-CA-C 112.519 -0.233 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.87 172.51 13.59 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.572 2.181 . . . . 0.0 112.247 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.9 mt 60.29 104.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -98.92 -11.13 47.42 Favored Glycine 0 CA--C 1.519 0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.832 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.96 23.24 6.57 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.713 0.257 . . . . 0.0 111.163 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 45.6 mtm180 -75.03 -50.97 14.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.904 0.383 . . . . 0.0 110.797 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 31.5 m -65.65 -38.59 82.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.153 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.87 -42.9 89.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 15.5 mt -61.66 -44.82 96.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.87 -42.08 83.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.005 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -58.98 -42.65 90.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.536 HD11 HD12 ' A' ' 117' ' ' LEU . 4.0 mm? -64.95 -32.89 74.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.68 -40.91 96.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -61.03 -43.6 98.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.555 HD13 HD12 ' A' ' 166' ' ' LEU . 0.3 OUTLIER -68.08 -41.28 82.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.408 ' CB ' ' HB3' ' A' ' 105' ' ' LEU . . . -68.09 -36.09 79.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.246 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 16.0 mmtm -75.04 -37.49 61.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.041 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -66.16 -48.98 68.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.103 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 43.9 m95 -64.91 -34.43 78.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.988 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.75 -45.08 78.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.889 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.2 mt -61.25 -27.95 68.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.647 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -79.61 -39.59 31.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.67 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 134.63 -6.64 4.53 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.844 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.4 m -92.35 -169.65 2.29 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.932 0.396 . . . . 0.0 110.927 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.5 t -150.87 117.02 5.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.986 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.584 ' C ' HD13 ' A' ' 105' ' ' LEU . 2.5 tm? -65.78 114.95 5.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.02 110.07 12.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 6.6 pt -73.93 110.85 10.18 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.084 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.41 149.28 68.93 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.46 2.107 . . . . 0.0 112.272 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.9 t -97.46 116.4 39.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.092 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 20.2 t -117.67 136.33 55.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.192 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 59.87 35.19 21.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 59.82 29.8 19.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.824 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.57 165.4 33.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 27.7 mt -74.95 138.47 20.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.21 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 8.1 tt -91.63 117.54 29.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.958 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.601 ' HB2' HD21 ' A' ' 146' ' ' LEU . 6.6 t0 -65.48 136.76 56.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.571 ' HB3' HD13 ' A' ' 166' ' ' LEU . 34.9 mt -109.24 -46.6 3.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.968 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -59.76 -51.19 70.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.083 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -59.9 -47.11 87.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.337 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.835 ' O ' HG23 ' A' ' 124' ' ' VAL . 40.6 tp -58.5 -34.61 71.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 37.7 t -63.67 -44.64 93.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.112 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -68.05 -40.86 82.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.142 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.997 HG21 HG13 ' A' ' 142' ' ' VAL . 13.8 mt -58.8 -44.97 91.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.447 -179.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.835 HG23 ' O ' ' A' ' 120' ' ' LEU . 21.7 t -60.37 -50.36 80.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.314 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.71 -47.05 87.01 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.44 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.2 p -56.89 -25.31 56.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.323 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -82.73 -25.93 32.42 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 157.91 -25.55 0.43 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.522 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.65 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 140.71 -60.22 0.56 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.497 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.432 ' CZ ' ' HD3' ' A' ' 159' ' ' LYS . 16.6 t80 -176.8 -58.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.891 0.377 . . . . 0.0 111.037 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -59.52 -41.63 90.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.06 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.4 ttm -60.92 -36.35 79.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.999 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.641 HG13 ' HB2' ' A' ' 138' ' ' LYS . 21.5 t -67.06 -44.76 87.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.202 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.7 m -70.04 -34.03 72.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 3.3 mmmt -61.75 -37.02 82.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.081 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -104.32 4.29 33.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.473 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 5.6 tptm 57.0 31.79 20.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.784 0.326 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.641 ' HB2' HG13 ' A' ' 133' ' ' VAL . 3.4 mtmt -69.28 -12.39 61.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.397 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.434 ' CD1' HG12 ' A' ' 133' ' ' VAL . 96.1 m95 -53.16 -34.42 56.78 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.74 0.305 . . . . 0.0 111.099 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 58.3 m -65.21 -37.51 87.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 10.9 mtmm -70.17 -32.51 70.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.813 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.997 HG13 HG21 ' A' ' 123' ' ' ILE . 21.7 t -59.46 -46.73 92.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.13 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -63.57 -40.92 99.2 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.494 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 4.6 m -59.92 -35.89 75.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.777 0.322 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 14.3 mtt180 -71.29 -33.98 70.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.866 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.601 HD21 ' HB2' ' A' ' 116' ' ' ASP . 0.2 OUTLIER -74.84 -67.47 0.64 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 171.01 40.09 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.42 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -112.98 159.74 18.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.784 0.326 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 18.5 mt -111.96 151.63 43.68 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.934 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.35 89.86 0.58 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.526 2.151 . . . . 0.0 112.241 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -103.27 -148.9 20.51 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.452 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 46.7 mmtt -90.4 -45.08 9.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.801 0.334 . . . . 0.0 110.86 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -141.44 100.12 0.26 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.546 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 4.3 m -137.88 -49.44 0.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.856 0.36 . . . . 0.0 110.925 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . 0.671 ' HA2' HD12 ' A' ' 158' ' ' LEU . . . -59.27 -33.93 77.81 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.5 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 1.5 m -65.62 -40.21 92.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.812 0.339 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 2.2 mp -68.47 -39.3 81.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.934 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.671 HD12 ' HA2' ' A' ' 155' ' ' GLY . 24.4 mt -59.99 -39.5 85.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.923 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . 0.432 ' HD3' ' CZ ' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -70.16 -40.85 74.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 47.9 m -66.93 -46.03 76.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -67.8 -44.64 76.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . 0.639 ' CE1' HD23 ' A' ' 166' ' ' LEU . 73.1 t80 -59.86 -43.63 94.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -99.77 73.83 1.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -167.97 -39.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.335 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.501 ' O ' HD21 ' A' ' 94' ' ' LEU . 1.5 mt -126.07 -38.06 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.696 -179.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.639 HD23 ' CE1' ' A' ' 162' ' ' TYR . 11.7 tp -85.92 -59.94 2.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.83 0.348 . . . . 0.0 111.504 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . 0.473 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 1.7 t80 -47.57 -46.91 60.6 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.871 -179.548 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 167' ' ' TYR . 52.2 Cg_exo -54.6 -31.5 70.5 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.231 1.954 . . . . 0.0 112.488 -179.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . 0.433 ' HB2' HD11 ' A' ' 94' ' ' LEU . 21.2 t80 -57.01 -53.17 61.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.084 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.99 -50.33 73.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.63 -33.96 74.85 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.036 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -58.04 -36.27 72.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.083 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -85.11 -43.74 13.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.027 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 6.2 m -97.1 30.85 2.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.447 -1.196 . . . . 0.0 112.45 179.997 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.082 0 N-CA-C 112.565 -0.214 . . . . 0.0 112.565 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.31 102.45 1.26 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.55 2.167 . . . . 0.0 112.19 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 18.2 mt -116.07 105.76 12.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -160.96 -93.59 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.512 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.1 p -102.71 36.5 2.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.827 0.346 . . . . 0.0 110.972 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -66.24 -51.18 60.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 28.6 m -63.12 -37.77 80.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.21 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.418 ' O ' HD12 ' A' ' 91' ' ' LEU . 9.7 ttt180 -66.65 -48.46 69.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.74 -42.2 92.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.769 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.96 -38.66 76.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.02 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.42 ' CD2' ' CD2' ' A' ' 118' ' ' TYR . 47.9 t80 -60.52 -41.99 95.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.941 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.59 HD23 HD21 ' A' ' 105' ' ' LEU . 0.8 OUTLIER -65.66 -33.12 75.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.803 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -60.96 -43.66 98.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.87 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -68.35 -47.36 67.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.789 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.855 HD22 HD12 ' A' ' 105' ' ' LEU . 5.3 tt -62.56 -38.95 92.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.939 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.65 -46.08 66.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.43 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.98 -35.42 72.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.207 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -67.04 -49.05 66.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.154 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 36.3 m95 -66.05 -36.23 82.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.809 0.338 . . . . 0.0 111.001 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.65 -40.55 72.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.976 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.7 mt -59.04 -30.72 68.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.636 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -76.0 -44.39 39.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.693 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 146.02 -15.39 1.73 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.719 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.78 -161.77 0.89 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.691 0.281 . . . . 0.0 110.794 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.69 141.14 17.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.853 0.359 . . . . 0.0 110.788 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.855 HD12 HD22 ' A' ' 94' ' ' LEU . 0.9 OUTLIER -62.91 124.16 20.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.653 179.91 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.12 132.48 48.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.898 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.549 HD11 HD21 ' A' ' 105' ' ' LEU . 1.3 mp -114.08 81.75 6.5 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.212 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.67 149.2 32.99 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.446 2.097 . . . . 0.0 112.311 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 t -96.4 119.11 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.101 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 20.6 t -106.92 125.21 62.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.193 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 60.0 38.14 20.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.804 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 2.8 mtt85 60.15 31.58 20.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 18.1 mmtt -147.56 143.95 28.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 23.3 mt -78.34 123.12 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.042 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.4 HD13 ' OH ' ' A' ' 148' ' ' TYR . 45.9 tp -81.89 136.21 35.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.821 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -66.55 158.2 30.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.643 ' CA ' HD11 ' A' ' 166' ' ' LEU . 25.7 mt -114.38 -66.23 1.11 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.969 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.42 ' CD2' ' CD2' ' A' ' 90' ' ' PHE . 1.1 t80 -56.1 -51.01 69.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -58.39 -37.25 74.91 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.158 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.734 ' HA ' HD12 ' A' ' 123' ' ' ILE . 32.3 tp -65.06 -48.97 71.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.887 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 29.4 t -59.09 -34.99 72.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.966 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -66.84 -45.54 77.9 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.045 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.734 HD12 ' HA ' ' A' ' 120' ' ' LEU . 7.8 mt -58.81 -39.23 76.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.183 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.702 HG21 ' CE2' ' A' ' 162' ' ' TYR . 30.6 t -60.24 -50.2 81.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.143 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -56.9 -44.82 82.74 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.267 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 52.2 p -56.84 -21.9 32.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.445 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.822 ' HB2' HG22 ' A' ' 133' ' ' VAL . 24.1 mmtt -86.23 -31.43 21.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.856 0.36 . . . . 0.0 110.697 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 143.88 40.57 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.63 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.564 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 86.51 -66.98 3.54 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.761 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.409 ' CZ ' ' HD3' ' A' ' 159' ' ' LYS . 8.0 t80 -176.27 -53.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.718 0.294 . . . . 0.0 111.056 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -56.79 -42.38 79.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.178 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 10.6 mmt -60.96 -33.71 73.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.822 HG22 ' HB2' ' A' ' 127' ' ' LYS . 21.1 t -61.4 -47.7 92.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.084 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 7.2 m -68.42 -45.2 73.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.797 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.72 -31.94 72.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -93.65 -17.26 23.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.175 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp 67.88 36.51 3.43 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.824 0.345 . . . . 0.0 110.816 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.538 ' O ' HG23 ' A' ' 142' ' ' VAL . 13.6 mmtm -87.95 -1.75 58.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.392 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.489 ' CD1' HG12 ' A' ' 133' ' ' VAL . 71.0 m95 -59.12 -38.0 78.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.848 0.356 . . . . 0.0 110.838 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.7 m -63.98 -36.84 85.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 27.2 mttm -68.27 -32.34 72.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.941 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.575 HG13 HG21 ' A' ' 123' ' ' ILE . 21.6 t -65.75 -42.42 92.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -68.91 -41.87 80.61 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.573 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 13.9 m -60.32 -36.48 78.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.894 0.378 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.55 -31.63 71.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.849 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 146' ' ' LEU . 1.7 mm? -67.07 -60.74 2.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.777 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 154.93 56.42 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.519 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . 0.686 ' CZ ' HD21 ' A' ' 158' ' ' LEU . 4.9 m-85 -109.23 118.89 37.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.849 0.357 . . . . 0.0 110.865 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 20.6 mt -63.7 130.29 94.29 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.831 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.16 162.02 3.17 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.491 2.127 . . . . 0.0 112.252 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 140.87 -92.58 0.18 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.504 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.88 171.86 8.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.79 0.328 . . . . 0.0 110.977 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -81.2 126.8 7.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.514 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . 0.705 HG23 HD12 ' A' ' 157' ' ' LEU . 0.9 OUTLIER -129.57 12.61 5.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.682 0.277 . . . . 0.0 111.314 179.906 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . 0.696 ' HA2' HD12 ' A' ' 158' ' ' LEU . . . -74.99 -42.03 30.9 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.49 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 43.6 m -65.16 -31.76 73.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.79 0.328 . . . . 0.0 110.939 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.705 HD12 HG23 ' A' ' 154' ' ' THR . 75.3 mt -67.11 -43.46 82.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.696 HD12 ' HA2' ' A' ' 155' ' ' GLY . 5.0 mt -59.23 -43.38 92.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.962 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . 0.409 ' HD3' ' CZ ' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -60.15 -36.11 76.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 3.1 m -66.96 -45.33 78.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.007 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -66.82 -47.9 70.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . 0.702 ' CE2' HG21 ' A' ' 124' ' ' VAL . 20.6 t80 -59.43 -49.01 79.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.812 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -89.79 68.65 7.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.709 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -163.63 -40.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.035 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.633 HG22 HD21 ' A' ' 94' ' ' LEU . 2.7 mp -135.29 -43.04 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.47 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.643 HD11 ' CA ' ' A' ' 117' ' ' LEU . 0.6 OUTLIER -71.37 -60.59 2.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.348 -179.599 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . 0.534 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 1.9 t80 -56.56 -56.16 35.13 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.745 -179.579 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 10.8 Cg_endo -55.01 -29.52 65.28 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.254 1.969 . . . . 0.0 112.546 -179.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . 0.853 ' CD2' HD12 ' A' ' 94' ' ' LEU . 19.3 t80 -58.82 -53.05 62.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.912 0.387 . . . . 0.0 110.813 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.49 -50.32 74.17 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 168' ' ' PRO . 5.9 mt -58.37 -36.87 74.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.011 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -57.98 -34.98 70.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -77.59 -44.0 29.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.971 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 44.4 m -100.5 30.43 3.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.971 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.361 -1.244 . . . . 0.0 112.448 -179.873 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.235 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.96 104.74 1.56 Allowed 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.541 2.161 . . . . 0.0 112.261 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.2 mp -65.69 -62.84 1.29 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.956 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 103.08 30.13 5.52 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.9 m 60.29 34.76 20.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.729 0.299 . . . . 0.0 110.843 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 38.5 mtm180 -73.73 -39.79 64.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.793 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 28.5 m -66.54 -38.35 81.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.234 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -65.97 -40.83 91.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.547 HD13 ' O ' ' A' ' 88' ' ' LEU . 0.3 OUTLIER -67.0 -46.21 75.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.892 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -58.84 -43.14 90.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -61.58 -48.14 82.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.08 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.475 HD22 HD21 ' A' ' 105' ' ' LEU . 23.0 mt -59.98 -32.95 71.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.951 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.08 -46.39 89.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -64.31 -47.95 77.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.978 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.899 HD22 HD12 ' A' ' 105' ' ' LEU . 1.0 OUTLIER -67.97 -40.16 83.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.995 -179.859 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.82 -36.58 75.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.224 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -75.07 -39.06 61.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.063 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -62.11 -49.11 77.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.139 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.549 ' HD1' HD23 ' A' ' 94' ' ' LEU . 44.5 m95 -65.94 -35.42 80.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.951 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -55.91 -44.97 78.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.13 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 82.8 mt -60.9 -30.64 70.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.728 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -72.4 -41.59 66.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.799 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 141.63 -12.4 2.69 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.781 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.4 m -98.83 -163.34 1.03 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.725 0.262 . . . . 0.0 111.035 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.3 m -156.37 130.37 8.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.892 0.377 . . . . 0.0 110.894 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.899 HD12 HD22 ' A' ' 94' ' ' LEU . 5.0 tt -62.96 123.95 19.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.835 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -124.39 132.1 53.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.975 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.1 mp -101.77 92.25 2.78 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.108 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.18 169.62 14.88 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.534 2.156 . . . . 0.0 112.275 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.5 t -110.96 121.5 63.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.185 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.3 t -106.87 120.93 58.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 60.93 36.97 18.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.821 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.98 30.52 18.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.841 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 19.0 tttm -145.25 151.12 37.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.961 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 26.1 mt -74.83 125.19 34.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.33 125.83 32.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.019 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -59.67 156.23 14.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.795 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.563 ' HB3' HD11 ' A' ' 166' ' ' LEU . 1.0 OUTLIER -118.31 -66.1 1.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.037 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -55.9 -51.2 68.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.47 -38.0 82.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.199 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.78 ' HA ' HD12 ' A' ' 123' ' ' ILE . 26.4 tp -62.53 -37.11 84.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.067 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 9.4 t -66.72 -38.79 87.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.072 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -67.63 -41.58 83.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.921 HG21 HG13 ' A' ' 142' ' ' VAL . 12.7 mt -58.84 -43.49 88.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.37 -179.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 120' ' ' LEU . 17.4 t -58.91 -50.04 80.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.713 0.292 . . . . 0.0 111.073 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.06 -46.91 82.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.406 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 38.2 p -56.79 -21.05 25.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.574 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.641 ' CB ' HG22 ' A' ' 133' ' ' VAL . 40.2 mmtt -88.43 -40.62 13.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.926 0.393 . . . . 0.0 110.853 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 155.55 42.72 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.504 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.655 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 82.88 -65.75 4.07 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.597 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -179.61 -57.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.823 0.344 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -56.93 -31.18 64.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.999 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 37.9 tpp -66.26 -36.82 83.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.641 HG22 ' CB ' ' A' ' 127' ' ' LYS . 18.7 t -66.97 -41.8 87.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.159 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 5.3 m -69.73 -44.44 70.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.993 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 13.5 mmtp -61.64 -37.79 85.32 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.04 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -92.8 -12.87 30.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.291 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 5.4 tttt 65.65 36.28 6.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.76 0.314 . . . . 0.0 110.802 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -81.88 -1.18 46.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.421 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.447 ' CE2' ' HG2' ' A' ' 159' ' ' LYS . 88.3 m95 -58.54 -34.88 71.5 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.845 0.355 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 68.9 m -60.62 -35.63 76.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -72.08 -33.91 68.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.921 HG13 HG21 ' A' ' 123' ' ' ILE . 21.7 t -59.6 -47.16 92.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -64.09 -39.12 96.89 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.449 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 37.4 m -59.42 -40.5 86.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.876 0.369 . . . . 0.0 110.996 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 30.3 mtt85 -62.71 -31.14 72.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 7.8 mt -79.53 -55.67 4.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.967 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 157.2 50.73 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.476 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . 0.671 ' CZ ' HD21 ' A' ' 158' ' ' LEU . 4.9 m-85 -112.4 146.02 39.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.747 0.308 . . . . 0.0 110.968 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 8.5 mt -109.07 137.78 20.23 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.87 115.72 2.53 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.552 2.168 . . . . 0.0 112.318 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -135.86 -126.26 2.56 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.457 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -80.28 -28.87 38.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.811 0.339 . . . . 0.0 110.936 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 169.71 -87.59 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.583 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . 0.412 ' HA ' HD13 ' A' ' 157' ' ' LEU . 10.0 m 72.48 4.62 5.05 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 111.574 0.212 . . . . 0.0 111.574 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -75.26 -42.08 29.39 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.514 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 18.1 m -63.88 -35.85 81.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.704 0.288 . . . . 0.0 110.934 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' A' ' 154' ' ' THR . 3.6 mp -63.95 -46.01 86.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.914 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.671 HD21 ' CZ ' ' A' ' 148' ' ' TYR . 79.7 mt -67.36 -40.67 85.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.957 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . 0.447 ' HG2' ' CE2' ' A' ' 139' ' ' TRP . 0.0 OUTLIER -70.38 -43.79 69.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 41.8 m -66.96 -42.25 85.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.056 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -63.89 -37.26 86.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.219 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . 0.518 ' CZ ' HG21 ' A' ' 124' ' ' VAL . 80.1 t80 -73.06 -41.33 64.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -99.12 73.15 1.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.018 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 1.2 ttt85 -167.81 -40.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.188 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.711 ' O ' HD21 ' A' ' 94' ' ' LEU . 1.5 mp -126.58 -36.72 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.68 -179.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.68 ' HA ' HD11 ' A' ' 94' ' ' LEU . 0.5 OUTLIER -87.33 -62.02 1.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.348 . . . . 0.0 111.54 -179.404 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . 0.552 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 2.0 t80 -50.16 -55.04 27.59 Favored Pre-proline 0 C--N 1.329 -0.298 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -179.367 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' PRO . . . . . 0.552 ' HD2' ' N ' ' A' ' 167' ' ' TYR . 10.4 Cg_endo -54.67 -25.96 44.33 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.308 2.005 . . . . 0.0 112.75 -179.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . 0.431 ' CG ' ' HG ' ' A' ' 94' ' ' LEU . 25.4 t80 -60.13 -53.22 60.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.876 0.37 . . . . 0.0 110.805 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -58.58 -50.15 74.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.966 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 17.3 mt -57.81 -34.48 69.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.995 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -59.1 -38.43 79.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -84.79 -42.71 14.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.018 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 12.8 m -97.9 31.2 2.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.032 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.087 0 CA-C-O 118.324 -1.265 . . . . 0.0 112.428 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.202 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.13 -28.2 19.17 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.564 2.176 . . . . 0.0 112.329 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.0 mt -103.14 105.94 16.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 170.34 -105.97 0.23 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.56 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -99.03 77.67 2.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.895 0.379 . . . . 0.0 110.824 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -68.75 -39.55 80.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 14.0 m -59.19 -35.79 59.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.181 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.6 mtt180 -67.08 -49.77 63.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.4 mp -65.43 -43.71 89.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.8 -43.12 85.44 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -60.28 -50.08 75.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.932 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.442 ' CD2' HD12 ' A' ' 117' ' ' LEU . 5.8 mt -60.46 -32.81 71.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.83 -47.12 87.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.992 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -64.47 -36.37 83.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.96 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.696 HD12 ' CD2' ' A' ' 169' ' ' TYR . 2.7 tp -62.71 -51.1 68.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.086 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.2 -44.74 68.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.476 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.539 ' O ' HD12 ' A' ' 100' ' ' LEU . 3.6 mtpt -65.07 -45.05 86.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.31 -179.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -59.26 -49.09 79.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.147 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.444 ' CD1' HD12 ' A' ' 105' ' ' LEU . 38.1 m95 -66.04 -32.94 74.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.934 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -55.76 -37.93 69.17 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.083 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.539 HD12 ' O ' ' A' ' 96' ' ' LYS . 0.8 OUTLIER -58.97 -36.95 75.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -68.95 -43.03 75.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 112.02 23.5 5.52 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.53 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.7 -28.29 14.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.788 0.328 . . . . 0.0 110.956 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 7.8 m 65.3 99.73 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.849 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.444 HD12 ' CD1' ' A' ' 98' ' ' TRP . 0.3 OUTLIER -68.0 122.75 18.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.064 -179.892 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -128.03 109.87 11.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.704 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 2.6 mp -57.94 108.79 1.4 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.318 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -71.98 142.21 38.17 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.363 2.042 . . . . 0.0 112.349 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 t -93.67 128.94 44.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.98 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.702 HG21 HD12 ' A' ' 115' ' ' LEU . 20.3 t -129.1 127.97 66.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.13 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 59.58 35.57 22.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 25.0 mtt180 61.27 31.09 19.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.65 153.91 38.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.883 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 31.0 mm -71.66 133.99 30.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.064 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.702 HD12 HG21 ' A' ' 110' ' ' VAL . 6.7 tt -88.56 108.56 19.48 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.62 ' O ' HD23 ' A' ' 115' ' ' LEU . 6.3 t70 -59.67 145.77 43.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.857 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.526 HD13 HD22 ' A' ' 94' ' ' LEU . 90.3 mt -106.66 -57.18 2.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.928 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -54.88 -51.19 66.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.991 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -58.34 -46.82 85.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.39 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.585 ' O ' HG23 ' A' ' 124' ' ' VAL . 58.4 tp -64.45 -41.95 96.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.177 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.0 t -58.02 -37.73 74.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.136 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 15.5 mtpt -68.04 -43.46 78.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.16 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 54.3 mt -58.79 -43.64 88.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.491 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.955 HG21 ' CE2' ' A' ' 162' ' ' TYR . 21.4 t -58.19 -50.16 79.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.297 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.32 -47.09 86.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 19.3 p -57.79 -20.97 39.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.476 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.663 ' CB ' HG22 ' A' ' 133' ' ' VAL . 6.4 mttp -87.2 -33.48 19.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.99 0.424 . . . . 0.0 110.882 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 146.27 41.83 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.528 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.718 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 84.55 -66.03 3.96 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.744 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.446 ' CZ ' ' HD3' ' A' ' 159' ' ' LYS . 10.3 t80 -177.48 -55.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.868 0.366 . . . . 0.0 111.042 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -56.78 -31.38 64.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.097 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.9 mtp -64.35 -38.24 90.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.692 HG13 ' HB2' ' A' ' 138' ' ' LYS . 22.0 t -66.97 -43.52 89.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.88 -42.22 73.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.984 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -61.79 -30.67 70.96 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.05 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -103.75 -3.84 24.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.405 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 8.2 tttp 61.57 36.1 17.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.853 0.359 . . . . 0.0 110.755 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.692 ' HB2' HG13 ' A' ' 133' ' ' VAL . 15.2 mmtt -76.48 -9.86 58.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.434 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 86.5 m95 -53.98 -35.99 62.43 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.893 0.378 . . . . 0.0 111.003 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 19.6 m -66.94 -33.06 74.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.741 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.97 -32.36 67.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 22.9 t -61.91 -46.9 95.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.104 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -61.96 -43.64 98.9 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.58 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 58.5 m -58.94 -39.79 82.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.817 0.342 . . . . 0.0 110.962 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -72.0 -34.09 68.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.019 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.833 HD22 ' CE2' ' A' ' 148' ' ' TYR . 0.2 OUTLIER -69.15 -29.36 67.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.973 -179.89 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 114.36 20.47 5.87 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.733 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . 0.833 ' CE2' HD22 ' A' ' 146' ' ' LEU . 69.9 m-85 -78.39 123.13 26.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.72 0.295 . . . . 0.0 110.802 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 54.8 mt -56.67 148.84 44.55 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.018 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -69.1 136.54 35.02 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.573 2.182 . . . . 0.0 112.339 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 172.43 -169.71 42.81 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.432 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -74.39 155.41 38.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.747 0.308 . . . . 0.0 110.938 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 61.82 -122.41 28.72 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.465 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 24.9 m 67.42 -70.06 0.12 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.646 0.26 . . . . 0.0 110.957 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . 0.537 ' HA2' HD12 ' A' ' 158' ' ' LEU . . . -63.51 -36.03 92.82 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.502 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 12.2 m -67.37 -40.34 85.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.786 0.327 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 8.1 mp -70.45 -36.8 74.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.537 HD12 ' HA2' ' A' ' 155' ' ' GLY . 11.4 mt -62.77 -38.01 88.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.81 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . 0.446 ' HD3' ' CZ ' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -67.71 -41.77 83.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 16.5 m -67.05 -45.89 76.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 -64.08 -47.65 79.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.831 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . 0.955 ' CE2' HG21 ' A' ' 124' ' ' VAL . 14.6 t80 -59.28 -41.77 89.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -94.31 43.85 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.815 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.1 -42.75 1.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 1.8 mp -134.13 -44.54 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.268 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.572 HD13 ' CD1' ' A' ' 162' ' ' TYR . 1.8 tt -63.13 -65.36 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.51 -179.49 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . 0.556 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 3.6 t80 -55.08 -55.05 43.42 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.886 -179.403 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' PRO . . . . . 0.562 ' HA ' HD12 ' A' ' 171' ' ' LEU . 10.5 Cg_endo -54.87 -25.74 44.97 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.334 2.023 . . . . 0.0 112.635 -179.355 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . 0.696 ' CD2' HD12 ' A' ' 94' ' ' LEU . 49.0 t80 -56.86 -53.14 61.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.895 0.378 . . . . 0.0 110.83 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -56.86 -50.14 73.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.974 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 0.562 HD12 ' HA ' ' A' ' 168' ' ' PRO . 13.4 mt -55.96 -38.63 70.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.112 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -58.71 -37.64 76.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.959 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -85.14 -42.67 14.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.982 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 58.4 m -97.72 31.02 2.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.06 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.372 -1.238 . . . . 0.0 112.541 179.883 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.208 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.3 -20.64 32.03 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.687 2.258 . . . . 0.0 112.418 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.0 mt -104.89 47.57 0.87 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.95 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -130.97 57.62 0.72 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.513 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 84.3 p -138.66 21.72 2.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.715 0.293 . . . . 0.0 111.063 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.99 -51.03 14.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.906 0.384 . . . . 0.0 110.841 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 30.5 m -66.87 -39.56 83.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.6 -44.08 97.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.963 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.82 -43.64 92.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -57.94 -42.99 86.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.086 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -63.03 -43.08 99.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.8 tp -60.14 -32.85 71.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.75 -45.6 81.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.026 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -71.41 -33.25 69.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.908 HD12 ' CD2' ' A' ' 169' ' ' TYR . 11.6 tp -66.91 -51.07 59.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.527 ' HB2' HD22 ' A' ' 105' ' ' LEU . . . -69.96 -37.01 75.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.324 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp -67.08 -40.99 87.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -64.65 -49.14 72.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.147 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 64.0 m95 -65.81 -34.2 77.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.103 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -56.03 -42.38 76.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.057 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 38.3 mt -59.24 -39.0 81.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.825 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.14 -44.81 94.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.808 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 114.88 23.19 4.72 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.334 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.521 ' C ' HG23 ' A' ' 104' ' ' THR . 0.1 OUTLIER -107.79 -21.1 12.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.668 0.27 . . . . 0.0 111.019 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.521 HG23 ' C ' ' A' ' 103' ' ' SER . 0.1 OUTLIER 60.41 126.71 0.01 OUTLIER 'General case' 0 N--CA 1.456 -0.162 0 CA-C-O 121.0 0.429 . . . . 0.0 111.101 179.687 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.662 HD11 HD23 ' A' ' 94' ' ' LEU . 6.2 tt -83.31 132.79 35.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.999 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.403 ' O ' ' HD3' ' A' ' 108' ' ' PRO . 6.4 mttt -123.81 132.26 53.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.746 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 18.8 mt -96.75 100.22 6.94 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.238 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 106' ' ' LYS . 60.0 Cg_endo -71.92 173.08 13.34 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.533 2.156 . . . . 0.0 112.356 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 t -125.0 111.64 28.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.97 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.694 HG12 ' HG2' ' A' ' 111' ' ' GLU . 21.2 t -106.91 131.16 57.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.195 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.694 ' HG2' HG12 ' A' ' 110' ' ' VAL . 68.7 mm-40 60.72 35.42 19.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.809 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.9 33.11 21.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.808 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -156.12 163.59 39.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.942 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 4.5 mt -73.67 127.03 35.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.531 HD11 ' CD2' ' A' ' 158' ' ' LEU . 0.6 OUTLIER -82.92 131.66 35.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.559 ' HB2' HD21 ' A' ' 146' ' ' LEU . 5.6 t70 -64.24 168.85 5.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.502 HD22 HD23 ' A' ' 166' ' ' LEU . 10.7 mt -141.3 -58.88 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.918 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -58.86 -51.29 70.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.766 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.434 ' HB3' ' OD1' ' A' ' 116' ' ' ASP . . . -63.76 -39.21 93.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.348 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.791 ' O ' HG23 ' A' ' 124' ' ' VAL . 50.6 tp -63.49 -41.62 98.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.104 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.9 t -57.92 -40.43 80.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.032 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -67.97 -43.94 77.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.998 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 1.029 HG21 HG13 ' A' ' 142' ' ' VAL . 12.7 mt -58.85 -42.7 86.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.305 -179.7 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.791 HG23 ' O ' ' A' ' 120' ' ' LEU . 19.9 t -58.67 -50.09 80.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.204 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.61 -44.43 85.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.239 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 20.0 p -56.84 -27.52 60.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.183 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.509 ' HB2' HG22 ' A' ' 133' ' ' VAL . 24.3 mmtt -82.73 -26.97 31.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.806 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 157.64 -24.85 0.43 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.694 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.608 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 140.98 -57.94 0.58 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.421 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.435 ' CZ ' ' HD3' ' A' ' 159' ' ' LYS . 51.6 t80 -178.51 -56.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.895 0.379 . . . . 0.0 110.892 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -65.26 -39.94 93.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 9.8 tpt -60.94 -33.45 73.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.63 HG12 ' CD1' ' A' ' 139' ' ' TRP . 13.7 t -67.0 -39.86 84.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.09 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.605 HG23 ' HE3' ' A' ' 159' ' ' LYS . 0.6 OUTLIER -67.12 -46.07 75.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.953 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -61.87 -37.97 86.55 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.0 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -85.94 -21.52 27.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.101 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 8.5 tttp 65.49 37.65 5.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.839 0.352 . . . . 0.0 110.85 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.544 ' O ' HG23 ' A' ' 142' ' ' VAL . 22.5 mtpp -89.88 9.66 26.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.322 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.63 ' CD1' HG12 ' A' ' 133' ' ' VAL . 89.8 m95 -65.69 -35.25 80.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.803 0.335 . . . . 0.0 110.741 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.1 m -63.05 -34.22 77.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.774 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.85 -37.31 70.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.73 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 1.029 HG13 HG21 ' A' ' 123' ' ' ILE . 24.5 t -59.85 -44.04 93.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.126 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -64.29 -41.86 98.05 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 9.6 m -60.13 -35.96 76.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.774 0.321 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 20.7 mtt85 -64.44 -32.38 73.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.559 HD21 ' HB2' ' A' ' 116' ' ' ASP . 0.1 OUTLIER -75.53 -70.65 0.41 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 163.02 42.2 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.564 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -105.85 125.12 50.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.85 0.357 . . . . 0.0 110.826 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.5 mp -69.53 142.39 91.73 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.09 168.41 0.54 Allowed 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.513 2.142 . . . . 0.0 112.223 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 158.7 -162.96 32.86 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.515 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -100.8 127.03 47.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.836 0.35 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 68.57 92.31 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.524 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 6.0 m -140.72 -56.38 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.805 0.336 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -59.0 -34.31 78.35 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.483 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 1.2 m -73.14 -31.29 64.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.756 0.312 . . . . 0.0 110.842 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.461 ' N ' HD22 ' A' ' 157' ' ' LEU . 3.8 mm? -69.07 -39.93 78.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.849 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.531 ' CD2' HD11 ' A' ' 115' ' ' LEU . 13.1 mt -67.49 -35.49 79.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . 0.605 ' HE3' HG23 ' A' ' 134' ' ' THR . 0.1 OUTLIER -66.19 -42.95 88.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 4.3 m -66.93 -44.26 81.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 -69.47 -44.3 71.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . 0.432 ' CE2' HG21 ' A' ' 124' ' ' VAL . 45.8 t80 -58.92 -48.52 81.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -91.11 62.39 4.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.827 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.21 -51.14 0.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.021 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.457 HG22 ' O ' ' A' ' 165' ' ' ILE . 2.1 mp -127.22 -1.21 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.774 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.502 HD23 HD22 ' A' ' 117' ' ' LEU . 0.9 OUTLIER -116.78 -58.91 2.02 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.83 0.348 . . . . 0.0 111.131 -179.848 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . 0.464 ' HB3' ' HD3' ' A' ' 168' ' ' PRO . 2.7 t80 -59.82 -48.86 94.05 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.22 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' PRO . . . . . 0.575 ' HA ' HD12 ' A' ' 171' ' ' LEU . 38.7 Cg_exo -60.14 -25.86 81.02 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.353 2.035 . . . . 0.0 112.36 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . 0.908 ' CD2' HD12 ' A' ' 94' ' ' LEU . 51.8 t80 -56.56 -53.28 59.45 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 120.785 0.326 . . . . 0.0 110.825 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -56.88 -50.12 73.46 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.03 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 0.575 HD12 ' HA ' ' A' ' 168' ' ' PRO . 2.1 mt -58.15 -33.88 69.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -64.66 -32.95 74.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -67.39 -44.14 79.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 1.9 m 178.56 39.5 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.81 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.376 -1.235 . . . . 0.0 112.528 -179.962 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.179 0 N-CA-C 112.558 -0.217 . . . . 0.0 112.558 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -78.86 1.52 9.06 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.59 2.193 . . . . 0.0 112.895 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.1 mp -107.27 120.25 41.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.822 0.344 . . . . 0.0 110.971 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.438 ' H ' HG22 ' A' ' 86' ' ' VAL . . . 124.76 -77.24 0.38 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.613 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.8 m -77.6 -47.22 19.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.795 0.331 . . . . 0.0 111.135 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -57.93 -46.04 85.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.025 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.438 HG22 ' H ' ' A' ' 83' ' ' GLY . 27.1 m -62.65 -40.42 88.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.096 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.401 ' N ' HG23 ' A' ' 86' ' ' VAL . 3.3 mtp180 -61.61 -50.04 74.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.8 mp -66.57 -42.68 86.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -57.86 -41.77 83.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -58.19 -50.03 74.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.079 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.5 mp -65.14 -33.11 75.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.969 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -63.71 -39.03 93.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -66.85 -47.97 70.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.938 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.449 HD11 ' O ' ' A' ' 165' ' ' ILE . 26.0 tp -57.28 -44.43 84.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.982 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.403 ' HA ' ' CB ' ' A' ' 105' ' ' LEU . . . -70.0 -37.72 75.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.462 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.586 ' O ' HD12 ' A' ' 100' ' ' LEU . 20.6 mtpp -74.91 -33.16 61.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.233 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -65.01 -49.55 69.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.211 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 68.4 m95 -66.43 -32.72 74.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.97 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -55.59 -43.12 75.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.912 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.586 HD12 ' O ' ' A' ' 96' ' ' LYS . 0.4 OUTLIER -66.38 -31.19 71.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.58 179.572 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 57.0 mm-40 -69.78 -37.87 76.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.82 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 118.42 20.09 4.42 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.483 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.2 t -100.28 -154.53 0.48 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.556 0.217 . . . . 0.0 110.689 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.4 t -154.82 94.5 1.67 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.832 0.349 . . . . 0.0 110.642 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.425 HD13 ' N ' ' A' ' 106' ' ' LYS . 0.3 OUTLIER -62.95 113.6 3.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 -179.89 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.425 ' N ' HD13 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -128.23 119.58 25.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.741 179.828 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 32.5 mt -71.02 111.71 10.85 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.185 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -78.97 162.14 26.48 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.415 2.077 . . . . 0.0 112.372 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 t -112.37 118.0 56.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.971 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.5 HG12 ' HG2' ' A' ' 111' ' ' GLU . 21.4 t -107.68 125.71 64.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.301 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.5 ' HG2' HG12 ' A' ' 110' ' ' VAL . 10.6 mm-40 58.55 39.74 24.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.985 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 43.4 mtm-85 59.28 30.3 20.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.6 mmtm -144.66 157.66 44.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.946 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 31.0 mt -77.93 133.37 30.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.101 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.403 HD12 ' CD2' ' A' ' 158' ' ' LEU . 7.2 tt -94.94 128.56 41.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -77.47 153.77 33.19 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.801 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.748 ' HA ' HD11 ' A' ' 166' ' ' LEU . 5.6 mp -108.64 -58.32 2.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.906 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -55.5 -51.15 67.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -58.48 -45.59 88.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.316 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.827 ' HA ' HD12 ' A' ' 123' ' ' ILE . 35.7 tp -63.81 -38.44 91.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.161 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.9 t -59.31 -40.99 88.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.137 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 9.0 mtmp? -67.97 -40.09 83.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.186 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 1.063 HG21 HG13 ' A' ' 142' ' ' VAL . 27.9 mt -58.68 -42.23 84.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.471 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.79 HG21 ' CZ ' ' A' ' 162' ' ' TYR . 19.1 t -59.72 -50.32 80.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.145 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.3 -44.47 94.91 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 83.7 p -56.83 -24.63 52.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.224 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.687 ' CB ' HG22 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -82.84 -23.58 33.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.864 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 149.28 -20.4 1.21 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.571 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.772 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 148.31 -63.77 0.42 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.331 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.401 ' CZ ' ' HG3' ' A' ' 163' ' ' GLU . 55.3 t80 179.36 -60.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.774 0.321 . . . . 0.0 110.762 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.95 -39.04 80.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.965 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -36.98 80.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.909 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.687 HG22 ' CB ' ' A' ' 127' ' ' LYS . 18.9 t -63.82 -41.93 94.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.136 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 6.8 m -69.91 -43.45 71.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -61.76 -36.68 81.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.959 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -89.87 -11.9 40.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.241 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 8.7 mtpt 63.51 31.87 14.57 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.831 0.348 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -79.29 -5.24 53.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.316 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.448 ' CE2' ' HG3' ' A' ' 159' ' ' LYS . 95.1 m95 -56.31 -31.97 64.18 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.725 0.298 . . . . 0.0 110.896 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 37.2 m -61.6 -39.05 89.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.818 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -71.87 -31.35 66.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.816 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 1.063 HG13 HG21 ' A' ' 123' ' ' ILE . 28.4 t -59.64 -45.86 93.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.1 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -68.66 -37.38 84.67 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.579 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 67.9 m -66.05 -36.03 82.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.825 0.345 . . . . 0.0 110.854 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 68.5 mtt180 -64.17 -31.51 72.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 5.7 mt -67.45 -69.21 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 155.55 55.33 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.507 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -104.67 159.32 15.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.816 0.341 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 75.1 mt -78.07 156.87 79.2 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.38 114.39 3.44 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.53 2.153 . . . . 0.0 112.208 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -136.67 -149.72 5.71 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.512 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 19.1 mtpt -105.77 -62.87 1.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.357 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -112.93 133.01 11.05 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.557 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 1.4 m -151.42 -46.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.337 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -58.48 -38.21 90.37 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.532 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 68.0 m -67.91 -31.51 71.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.793 0.33 . . . . 0.0 110.814 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 7.3 mp -70.87 -45.85 63.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.403 ' CD2' HD12 ' A' ' 115' ' ' LEU . 15.0 mt -63.78 -33.65 76.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . 0.448 ' HG3' ' CE2' ' A' ' 139' ' ' TRP . 0.1 OUTLIER -62.94 -40.7 98.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 45.3 m -64.49 -45.95 85.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.96 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -67.2 -45.71 76.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.948 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . 0.79 ' CZ ' HG21 ' A' ' 124' ' ' VAL . 56.2 t80 -59.31 -47.22 86.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.818 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.401 ' HG3' ' CZ ' ' A' ' 130' ' ' PHE . 0.5 OUTLIER -89.81 53.94 2.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.69 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -151.66 -43.34 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.093 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.449 ' O ' HD11 ' A' ' 94' ' ' LEU . 3.2 mt -127.72 -35.93 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.687 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.748 HD11 ' HA ' ' A' ' 117' ' ' LEU . 0.3 OUTLIER -79.4 -67.56 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.656 -179.431 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . 0.457 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 1.7 t80 -46.03 -47.03 43.14 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.294 -0.412 . . . . 0.0 112.05 -179.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' PRO . . . . . 0.457 ' CD ' ' N ' ' A' ' 167' ' ' TYR . 51.3 Cg_exo -54.55 -36.99 90.42 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.396 2.064 . . . . 0.0 112.505 -179.532 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -56.86 -53.08 61.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.973 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -58.48 -50.26 74.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.073 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 51.5 mt -60.5 -34.86 74.68 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -58.39 -38.45 77.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.943 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -84.95 -41.98 15.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.058 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 60.1 m -97.99 30.88 2.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.047 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.293 -1.282 . . . . 0.0 112.5 179.961 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.36 94.32 0.67 Allowed 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.601 2.2 . . . . 0.0 112.257 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.1 mt -109.27 77.01 1.03 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.823 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.87 -30.45 75.23 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.13 72.38 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.882 0.372 . . . . 0.0 110.95 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.09 -51.01 14.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.993 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 31.3 m -65.1 -37.91 81.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.272 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.97 -45.41 85.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.965 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.7 mt -59.49 -46.04 89.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.96 -42.89 85.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.063 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -58.5 -44.41 89.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.009 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.554 HD11 ' CD1' ' A' ' 117' ' ' LEU . 3.9 mm? -59.93 -33.12 71.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.03 -41.74 86.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.911 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -67.17 -43.5 82.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.045 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.658 HD21 ' O ' ' A' ' 165' ' ' ILE . 12.8 tp -61.16 -47.14 87.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.116 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.06 -36.67 75.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.377 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -75.03 -44.97 44.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.234 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -61.39 -49.09 78.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.054 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 40.1 m95 -66.0 -32.79 74.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.027 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.63 -40.65 72.46 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.018 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 37.6 mt -62.81 -29.58 70.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.704 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -72.9 -39.38 66.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.941 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 108.08 23.27 6.8 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.592 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.85 -30.02 7.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.698 0.285 . . . . 0.0 110.962 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.7 m 64.3 130.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.845 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.626 HD12 ' HG ' ' A' ' 94' ' ' LEU . 7.3 tt -64.03 134.31 54.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -128.08 109.97 12.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.721 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 2.1 mp -68.43 111.42 8.0 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.166 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.43 145.83 30.46 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.424 2.083 . . . . 0.0 112.382 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 t -112.06 115.25 49.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.004 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.3 t -115.41 133.95 60.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.217 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 59.14 35.4 23.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.009 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? 59.33 30.63 20.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.003 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.71 147.04 29.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 33.3 mm -69.87 130.25 34.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.99 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.733 HD11 HD22 ' A' ' 158' ' ' LEU . 2.4 tt -95.57 127.91 42.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.543 ' N ' HD23 ' A' ' 115' ' ' LEU . 2.7 t70 -59.32 174.25 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.861 ' HA ' HD11 ' A' ' 166' ' ' LEU . 10.1 mt -128.66 -64.33 0.93 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.989 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -55.55 -51.03 68.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.807 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -57.7 -40.49 79.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.195 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.593 ' O ' HG23 ' A' ' 124' ' ' VAL . 0.2 OUTLIER -69.12 -44.48 72.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.982 -179.926 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.9 t -57.93 -35.08 70.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.062 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.4 mtmp? -68.07 -44.96 75.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.951 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.547 HG21 HG13 ' A' ' 142' ' ' VAL . 41.6 mt -58.95 -41.06 82.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.204 -179.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.839 HG21 ' CZ ' ' A' ' 162' ' ' TYR . 17.9 t -59.24 -50.23 80.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.154 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.91 -47.02 87.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.204 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 24.9 p -56.95 -22.25 36.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.449 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.595 ' HB2' HG22 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -87.45 -34.99 18.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.832 0.349 . . . . 0.0 110.987 -179.887 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 150.34 43.01 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.554 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.715 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 81.49 -65.62 3.98 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.593 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.497 ' CE2' ' CZ2' ' A' ' 139' ' ' TRP . 54.4 t80 -179.06 -54.02 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.908 0.385 . . . . 0.0 110.884 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -56.8 -37.08 70.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.025 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 8.9 tpp -63.04 -33.95 76.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.595 HG22 ' HB2' ' A' ' 127' ' ' LYS . 27.2 t -66.97 -50.03 68.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.101 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.5 m -66.51 -34.32 77.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.978 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.76 -31.72 71.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.162 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -112.26 8.53 19.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.487 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 14.9 mttm 55.17 32.4 18.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.875 0.369 . . . . 0.0 110.975 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.474 ' O ' HG23 ' A' ' 142' ' ' VAL . 11.8 mttm -68.49 -13.19 62.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.396 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.497 ' CZ2' ' CE2' ' A' ' 130' ' ' PHE . 93.5 m95 -53.81 -36.88 62.97 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.868 0.366 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 67.7 m -61.61 -38.16 86.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 8.6 mtpp -72.03 -31.97 66.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.83 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.547 HG13 HG21 ' A' ' 123' ' ' ILE . 33.4 t -62.73 -49.05 85.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -67.67 -38.26 89.83 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.555 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 14.3 m -60.19 -40.18 89.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.787 0.327 . . . . 0.0 110.934 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.46 -31.25 71.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.5 mt -69.91 -65.26 0.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.793 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 163.89 43.54 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.461 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -108.95 138.07 45.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.738 0.304 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.4 mp -85.23 148.14 49.3 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.4 120.6 7.64 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.614 2.209 . . . . 0.0 112.174 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -178.36 127.72 1.2 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.578 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 9.9 mttp -68.61 131.64 45.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.864 0.364 . . . . 0.0 110.816 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 107.5 30.24 4.16 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.487 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 9.8 m -130.03 -45.48 1.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.771 0.319 . . . . 0.0 110.968 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -57.88 -38.91 90.63 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.589 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 66.1 m -63.11 -31.65 72.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.84 0.353 . . . . 0.0 110.919 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 10.5 mp -71.1 -35.1 71.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.733 HD22 HD11 ' A' ' 115' ' ' LEU . 22.2 mt -69.95 -39.47 76.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.928 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . 0.422 ' HE2' ' CZ ' ' A' ' 130' ' ' PHE . 1.3 mtpm? -67.45 -43.9 79.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.791 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 14.1 m -64.57 -46.13 84.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 57.2 m-70 -67.69 -44.27 78.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.95 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . 0.839 ' CZ ' HG21 ' A' ' 124' ' ' VAL . 65.8 t80 -59.67 -48.98 79.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -87.66 68.38 9.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.884 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 18.3 mtt-85 -163.22 -44.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.658 ' O ' HD21 ' A' ' 94' ' ' LEU . 2.4 mp -131.46 7.22 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.637 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.861 HD11 ' HA ' ' A' ' 117' ' ' LEU . 3.6 mt -120.47 -70.35 0.79 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.799 0.333 . . . . 0.0 111.117 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . 0.478 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 3.1 t80 -53.93 -46.67 98.48 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.513 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 167' ' ' TYR . 52.4 Cg_exo -54.74 -33.42 80.38 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.304 2.003 . . . . 0.0 112.407 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -56.85 -53.21 60.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.02 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.25 -50.25 74.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.94 0.4 . . . . 0.0 110.949 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 48.4 mt -59.96 -38.49 82.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -57.58 -34.07 68.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.066 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -84.1 -43.93 14.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 13.0 m -98.08 30.98 2.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.948 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.469 -1.184 . . . . 0.0 112.421 -179.964 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.213 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.402 ' HB2' ' HG2' ' A' ' 85' ' ' ARG . 58.6 Cg_endo -71.08 85.42 0.81 Allowed 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.529 2.153 . . . . 0.0 112.282 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.2 mp -142.07 97.67 3.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.841 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.0 -28.44 8.8 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.499 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 39.6 t -126.95 34.05 4.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.792 0.33 . . . . 0.0 110.924 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.402 ' HG2' ' HB2' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -75.01 -51.18 14.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.964 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 13.4 m -67.38 -34.95 72.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.203 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -62.45 -49.94 73.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.972 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.4 -46.12 87.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.005 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -57.8 -37.67 74.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -58.6 -45.45 89.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.817 ' HG ' HD11 ' A' ' 117' ' ' LEU . 4.8 mp -60.01 -33.03 71.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.995 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.12 -45.04 82.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.014 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -61.41 -47.86 83.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.93 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 1.023 HD22 HD13 ' A' ' 105' ' ' LEU . 0.7 OUTLIER -61.49 -44.46 97.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.989 -179.811 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.538 ' HB2' HD23 ' A' ' 105' ' ' LEU . . . -70.13 -45.36 67.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.389 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -69.78 -42.84 73.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.16 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -62.16 -48.96 77.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.157 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.45 ' HD1' HD23 ' A' ' 94' ' ' LEU . 28.7 m95 -64.39 -38.33 90.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.959 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -56.02 -40.16 73.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.047 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 96.4 mt -58.99 -30.8 68.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.747 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -75.85 -45.91 33.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.713 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.63 -15.76 1.24 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.74 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.2 t -93.65 -160.17 0.74 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.729 0.299 . . . . 0.0 110.723 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -159.92 136.93 9.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.875 0.369 . . . . 0.0 110.893 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 1.023 HD13 HD22 ' A' ' 94' ' ' LEU . 18.0 tp -62.99 114.15 3.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.623 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.0 tptt -113.55 132.32 55.76 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.053 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.644 HG23 ' O ' ' A' ' 107' ' ' ILE . 12.9 tt -116.76 80.43 10.81 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.004 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.27 165.81 8.44 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.696 2.264 . . . . 0.0 112.275 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.8 t -110.68 113.81 45.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.897 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 22.0 t -107.21 129.71 60.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.336 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 59.73 37.7 22.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.065 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.07 30.5 19.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.879 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.0 tttm -142.6 145.4 33.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.463 HG22 HD11 ' A' ' 107' ' ' ILE . 4.5 mt -79.23 139.75 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.146 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.432 ' CD1' HD23 ' A' ' 158' ' ' LEU . 1.0 OUTLIER -96.99 129.4 44.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.018 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -83.91 175.09 9.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.817 HD11 ' HG ' ' A' ' 91' ' ' LEU . 0.1 OUTLIER -124.69 -60.22 1.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.084 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -55.61 -51.06 68.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.968 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.03 -44.52 96.54 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.378 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 57.9 tp -61.6 -46.21 90.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.058 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 17.1 t -57.91 -35.0 70.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 14.4 mttp -66.56 -43.61 84.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.087 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.93 HG21 HG13 ' A' ' 142' ' ' VAL . 67.9 mt -58.85 -47.33 89.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.202 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.584 HG12 ' O ' ' A' ' 129' ' ' GLY . 21.7 t -58.91 -50.15 80.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.21 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.51 -47.1 82.88 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.317 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.68 -26.13 55.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.168 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.676 ' HB2' HG22 ' A' ' 133' ' ' VAL . 0.7 OUTLIER -83.36 -27.03 29.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.902 179.878 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 158.1 -25.24 0.41 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.554 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.584 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 137.81 -55.44 0.68 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.434 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -178.49 -61.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.851 0.357 . . . . 0.0 110.904 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -61.51 -39.64 91.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.967 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.97 -35.98 78.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.784 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.676 HG22 ' HB2' ' A' ' 127' ' ' LYS . 20.1 t -67.02 -43.38 89.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.195 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 7.5 m -63.86 -46.06 86.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 3.5 mtmm -61.78 -37.84 85.81 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -86.36 -15.17 41.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.286 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 2.6 mttm 65.13 37.25 6.75 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.883 0.373 . . . . 0.0 110.852 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.692 ' O ' HG23 ' A' ' 142' ' ' VAL . 7.1 mttt -90.78 11.05 23.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.264 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 62.7 m95 -67.09 -37.22 83.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.829 0.347 . . . . 0.0 110.836 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.24 -35.94 81.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -67.59 -35.84 79.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.74 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.93 HG13 HG21 ' A' ' 123' ' ' ILE . 25.3 t -58.92 -47.95 88.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.085 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -68.87 -33.77 75.85 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.533 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 32.2 m -59.45 -36.11 75.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.93 0.395 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -67.63 -31.96 72.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 30.1 mt -72.2 -66.06 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 153.26 56.43 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.422 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . 0.47 ' CE2' HD21 ' A' ' 158' ' ' LEU . 57.3 m-85 -111.18 145.15 39.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.81 0.338 . . . . 0.0 110.915 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 12.6 mt -88.92 154.03 49.73 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.948 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.34 150.75 84.41 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.601 2.201 . . . . 0.0 112.268 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 169.26 -165.16 38.66 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.576 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 18.5 mttm -88.81 88.11 7.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.754 0.311 . . . . 0.0 110.946 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . 0.404 ' O ' ' HB ' ' A' ' 154' ' ' THR . . . 133.24 -117.23 1.88 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.501 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . 0.404 ' HB ' ' O ' ' A' ' 153' ' ' GLY . 68.9 m 65.9 -72.91 0.07 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.702 0.287 . . . . 0.0 111.049 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -62.22 -39.29 97.5 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.444 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 10.4 m -68.71 -37.68 79.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.822 0.344 . . . . 0.0 110.83 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 22.6 mt -66.91 -42.69 84.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.47 HD21 ' CE2' ' A' ' 148' ' ' TYR . 6.9 mt -61.31 -38.86 88.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.8 -42.72 99.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.793 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 31.1 m -67.11 -44.37 80.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -63.92 -41.6 97.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.736 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . 0.492 ' CE2' ' CD1' ' A' ' 167' ' ' TYR . 37.5 t80 -60.03 -49.06 79.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.794 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -94.25 71.72 3.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.639 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.25 -42.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.406 HG22 HD21 ' A' ' 94' ' ' LEU . 1.7 mp -131.44 -42.62 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.782 0.325 . . . . 0.0 111.727 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.476 HD22 ' HA ' ' A' ' 117' ' ' LEU . 37.0 tp -77.41 -73.35 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.764 -179.27 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . 0.568 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 1.4 t80 -43.89 -54.39 11.05 Favored Pre-proline 0 CA--C 1.534 0.34 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -179.264 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' PRO . . . . . 0.755 ' HA ' HD12 ' A' ' 171' ' ' LEU . 10.5 Cg_endo -54.68 -25.67 43.09 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.329 2.02 . . . . 0.0 112.709 -179.578 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -56.79 -53.16 61.08 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.825 0.345 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -57.61 -49.99 74.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 0.755 HD12 ' HA ' ' A' ' 168' ' ' PRO . 4.2 mt -54.95 -37.31 66.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.204 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -58.8 -39.75 82.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -84.7 -42.0 15.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.949 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 21.8 m -98.22 31.1 2.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.009 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.354 -1.248 . . . . 0.0 112.432 179.99 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.151 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -71.91 62.18 3.14 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.596 2.197 . . . . 0.0 112.29 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 31.6 mt -119.72 117.23 27.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -134.07 -44.96 0.11 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.508 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.2 m -130.67 116.3 17.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.799 0.333 . . . . 0.0 110.846 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -71.92 -40.73 68.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 9.6 m -67.96 -35.1 70.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.156 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 50.0 ttt-85 -66.97 -45.04 78.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.9 mp -64.51 -40.12 95.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.828 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -57.73 -43.17 85.11 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.07 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -58.73 -47.89 83.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.33 -33.02 71.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.11 -46.94 84.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.058 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -63.31 -44.96 93.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.436 HD13 ' CG ' ' A' ' 169' ' ' TYR . 50.2 tp -62.68 -48.12 80.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.959 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.11 -43.09 71.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.28 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.425 ' O ' HD12 ' A' ' 100' ' ' LEU . 3.0 mttp -64.86 -44.88 88.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.208 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -58.7 -49.17 78.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.164 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 39.2 m95 -65.94 -34.29 77.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.957 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.83 -44.2 77.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.083 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.425 HD12 ' O ' ' A' ' 96' ' ' LYS . 3.4 mp -59.36 -31.99 69.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.95 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -69.41 -41.15 76.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 109.85 24.18 5.89 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.524 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.2 m -99.17 -29.48 12.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.774 0.321 . . . . 0.0 110.968 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 10.3 m 66.16 100.41 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.848 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.22 126.87 30.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.068 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 34.0 mtpt -127.88 109.99 12.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.707 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 36.5 mm -62.35 110.72 3.61 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.074 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -80.02 179.4 6.25 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.449 2.099 . . . . 0.0 112.365 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 29.9 t -125.04 149.04 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.889 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.649 HG21 HD12 ' A' ' 115' ' ' LEU . 13.3 t -128.22 112.06 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.839 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.446 ' HG2' HG12 ' A' ' 110' ' ' VAL . 1.3 mm-40 74.03 -49.41 0.68 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.156 -179.723 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 179.89 -26.59 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.484 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.24 171.85 7.24 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.873 0.368 . . . . 0.0 111.004 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 3.2 mp -91.08 133.82 31.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.035 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.649 HD12 HG21 ' A' ' 110' ' ' VAL . 2.5 tt -74.77 128.84 36.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.498 ' N ' HD23 ' A' ' 115' ' ' LEU . 2.8 t70 -58.8 174.45 0.34 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.804 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.839 ' HB3' HD21 ' A' ' 166' ' ' LEU . 2.2 mp -133.53 -68.67 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.06 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -59.09 -51.21 71.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.965 0.412 . . . . 0.0 110.674 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.96 -30.69 71.69 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.307 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.472 ' O ' HG23 ' A' ' 124' ' ' VAL . 0.3 OUTLIER -69.11 -49.01 60.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.134 -179.723 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 44.9 t -60.52 -34.86 74.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.122 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 3.3 mmtm -64.26 -46.59 83.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.938 HG21 HG13 ' A' ' 142' ' ' VAL . 26.8 mt -58.84 -48.89 84.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.46 -179.598 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.649 HG12 ' O ' ' A' ' 129' ' ' GLY . 17.0 t -59.05 -50.18 80.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.813 0.34 . . . . 0.0 111.213 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.56 -43.68 93.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.306 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 58.1 p -56.79 -26.82 58.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.415 ' HB2' HG22 ' A' ' 133' ' ' VAL . 2.9 mmpt? -83.78 -25.11 30.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.919 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 154.57 -24.32 0.65 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.567 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.649 ' O ' HG12 ' A' ' 124' ' ' VAL . . . 140.98 -56.62 0.6 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.459 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.437 ' CZ ' ' HD3' ' A' ' 159' ' ' LYS . 37.0 t80 -179.78 -56.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.795 0.331 . . . . 0.0 110.837 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -60.47 -39.74 88.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.3 tpp -60.89 -35.3 76.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.576 HG12 ' CD1' ' A' ' 139' ' ' TRP . 26.1 t -66.79 -42.53 89.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.006 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 6.8 m -65.27 -37.98 88.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 4.8 mmtp -61.73 -38.15 86.85 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.96 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -92.47 -18.25 23.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.078 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.17 38.37 3.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.82 0.343 . . . . 0.0 110.868 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.631 ' O ' HG23 ' A' ' 142' ' ' VAL . 12.6 mmtp -92.72 12.6 22.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.202 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.576 ' CD1' HG12 ' A' ' 133' ' ' VAL . 68.4 m95 -67.15 -35.09 78.95 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.802 0.334 . . . . 0.0 110.738 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 9.2 m -65.85 -34.56 78.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 13.0 mtpt -71.1 -33.71 70.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.823 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.938 HG13 HG21 ' A' ' 123' ' ' ILE . 24.8 t -61.68 -49.08 85.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.0 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.407 ' HA3' HD11 ' A' ' 158' ' ' LEU . . . -67.78 -42.9 85.87 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.439 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 14.9 m -60.17 -36.04 76.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.783 0.325 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.46 -34.1 76.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 6.2 mp -68.51 -49.14 61.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 149.43 50.14 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.361 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . 0.459 ' CE2' HD21 ' A' ' 158' ' ' LEU . 4.9 m-85 -105.6 136.65 44.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.84 154.49 85.7 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -72.29 103.92 1.6 Allowed 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.56 2.174 . . . . 0.0 112.371 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -138.65 -168.24 11.21 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.497 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -85.92 -74.54 0.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.753 0.311 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -82.53 123.2 5.99 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.485 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 1.1 m -161.44 -44.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.836 0.35 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -59.18 -36.08 87.14 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.477 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 6.3 m -67.75 -35.99 79.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.786 0.327 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 4.3 mt -64.93 -41.0 95.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.459 HD21 ' CE2' ' A' ' 148' ' ' TYR . 5.0 mt -71.78 -44.46 63.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.923 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . 0.437 ' HD3' ' CZ ' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -61.62 -42.02 98.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.882 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 50.7 m -66.85 -46.06 76.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 36.5 m-70 -65.86 -48.07 72.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . 0.529 ' CE2' HG21 ' A' ' 124' ' ' VAL . 32.1 t80 -60.04 -49.05 79.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -92.53 62.99 4.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.799 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.58 -44.07 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.025 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 2.4 mp -130.02 -42.66 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.343 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.839 HD21 ' HB3' ' A' ' 117' ' ' LEU . 0.5 OUTLIER -73.34 -67.08 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.341 -179.635 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . 0.586 ' N ' ' HD2' ' A' ' 168' ' ' PRO . 3.0 t80 -45.92 -52.91 23.5 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.299 -0.409 . . . . 0.0 112.071 -179.571 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' PRO . . . . . 0.726 ' HA ' HD12 ' A' ' 171' ' ' LEU . 10.4 Cg_endo -54.61 -25.8 43.09 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.318 2.012 . . . . 0.0 112.63 -179.506 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . 0.436 ' CG ' HD13 ' A' ' 94' ' ' LEU . 35.6 t80 -56.87 -53.12 61.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.875 0.369 . . . . 0.0 110.801 179.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.18 -50.03 75.57 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.791 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 0.726 HD12 ' HA ' ' A' ' 168' ' ' PRO . 3.0 mt -56.41 -36.16 68.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -59.14 -38.08 78.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.805 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -81.35 -43.99 18.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.958 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 7.9 m -98.05 30.57 3.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.975 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.374 -1.237 . . . . 0.0 112.591 -179.997 . . . . . . . . 0 0 . 1 stop_ save_