data_1x5p_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 1x5p _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 ' 16' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.947 0.403 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.4 m -84.81 156.12 21.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.162 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.421 ' CD1' ' CE2' ' A' ' 56' ' ' TYR . 6.7 mt -136.81 129.95 31.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -84.79 110.21 18.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.451 HG22 ' CZ ' ' A' ' 34' ' ' PHE . 36.8 t -109.09 144.82 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -136.79 131.1 32.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.436 ' HA3' ' CG ' ' A' ' 25' ' ' MET . . . -142.74 -171.13 13.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.508 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -131.02 -49.33 1.02 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.814 0.34 . . . . 0.0 110.836 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -120.6 40.7 3.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.436 ' CG ' ' HA3' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -110.01 148.76 31.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.8 p -119.52 155.01 54.65 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.569 0.699 . . . . 0.0 111.178 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -47.92 -56.4 3.13 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.707 2.271 . . . . 0.0 112.327 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.7 m -52.55 -29.52 25.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.4 tt -69.07 -50.75 45.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.9 mt -59.35 -29.35 67.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.4 mtp180 -57.26 -47.65 80.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -87.46 -7.09 76.55 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.451 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.29 -34.19 14.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.852 0.358 . . . . 0.0 111.097 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.46 ' CE2' HD13 ' A' ' 69' ' ' LEU . 29.9 m-85 -96.61 -20.03 18.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.852 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.583 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -58.89 -45.99 99.57 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.67 0.748 . . . . 0.0 110.861 -179.766 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.583 ' CD ' ' N ' ' A' ' 35' ' ' SER . 66.8 Cg_exo -48.08 -32.74 19.28 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.673 2.249 . . . . 0.0 112.31 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.524 ' CE1' ' HG ' ' A' ' 69' ' ' LEU . 87.7 m-85 -79.25 -38.65 35.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.07 -150.88 7.89 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.518 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -104.01 129.72 51.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.82 0.343 . . . . 0.0 110.87 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 58.7 mt -90.98 114.19 27.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.157 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 12.6 pt -101.11 -22.47 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -143.56 106.37 4.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.6 tp -130.27 111.54 12.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 m -126.44 144.9 50.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.2 mmt -121.13 141.57 50.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.537 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 47.4 m-20 -125.06 95.6 41.54 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.593 0.711 . . . . 0.0 110.845 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.588 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 64.2 Cg_exo -47.96 -43.38 30.19 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.696 2.264 . . . . 0.0 112.348 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 63.8 Cg_exo -47.91 -64.38 0.24 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.715 2.276 . . . . 0.0 112.369 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -87.78 1.19 54.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.6 m120 50.35 51.08 17.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 9.0 p -128.24 174.75 9.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -151.73 135.95 16.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.079 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -108.0 102.8 11.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.0 t -103.54 121.85 55.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 60.7 m -105.3 136.87 44.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.168 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.421 ' CE2' ' CD1' ' A' ' 18' ' ' LEU . 16.2 m-85 -103.01 144.16 31.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.917 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -57.4 -22.48 43.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm -128.3 162.61 26.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 13.7 ptp -83.3 -26.09 30.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.903 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -57.56 -36.72 72.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.414 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 32.9 m -70.36 -43.82 69.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.833 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -40.98 -54.45 2.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.086 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -67.24 -39.42 86.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -54.87 -66.49 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -47.42 -54.33 11.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.075 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.44 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 12.1 t -55.06 -18.78 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.105 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.29 -39.25 12.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -97.81 -58.94 1.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.524 ' HG ' ' CE1' ' A' ' 37' ' ' PHE . 10.0 mt -55.73 -14.9 2.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.44 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 1.2 t30 -70.47 114.67 8.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 66.97 19.94 70.27 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.489 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.7 t -87.33 147.66 25.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.707 0.289 . . . . 0.0 111.176 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -107.38 95.07 5.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.4 m -109.4 140.5 27.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 54.79 36.46 26.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 66.4 m 62.73 27.69 16.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.842 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 23.0 t -138.01 123.72 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.138 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -75.54 113.09 12.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 15.0 mt -100.33 132.31 45.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -111.4 104.32 12.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.422 HG12 ' N ' ' A' ' 82' ' ' ASN . 15.9 t -102.81 147.13 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.422 ' N ' HG12 ' A' ' 81' ' ' VAL . 3.2 t-20 -150.77 159.08 44.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.432 HD12 ' CB ' ' A' ' 66' ' ' VAL . 12.9 mm -76.88 95.08 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.082 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.815 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.473 ' OD1' ' N ' ' A' ' 16' ' ' ASN . 1.1 p-10 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.924 0.392 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.5 m -86.82 156.12 20.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.133 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.517 HD11 ' CE2' ' A' ' 56' ' ' TYR . 8.4 mt -134.78 128.71 33.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -84.24 110.3 18.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.95 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.429 HG22 ' CZ ' ' A' ' 34' ' ' PHE . 22.4 t -107.7 146.1 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.153 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -134.26 134.21 41.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.4 ' HA3' ' CG ' ' A' ' 25' ' ' MET . . . -148.15 -175.14 20.55 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.5 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -132.81 -45.37 0.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.838 0.351 . . . . 0.0 110.91 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -122.17 42.4 3.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.4 ' CG ' ' HA3' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -113.63 154.35 27.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.407 ' C ' ' HE3' ' A' ' 45' ' ' MET . 4.9 p -125.84 155.45 72.81 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.553 0.692 . . . . 0.0 111.16 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.423 ' N ' ' HE3' ' A' ' 45' ' ' MET . 64.7 Cg_exo -47.95 -63.93 0.28 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.708 2.272 . . . . 0.0 112.357 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.2 m -46.27 -30.96 2.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.9 tt -68.7 -48.11 64.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.946 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.8 mt -61.82 -30.01 70.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.7 mtp85 -58.05 -44.06 87.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -90.15 -4.52 71.48 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.462 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -97.32 -32.14 12.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.846 0.355 . . . . 0.0 111.076 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.519 ' CE2' ' CD1' ' A' ' 69' ' ' LEU . 36.2 m-85 -96.57 -23.29 16.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.873 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.579 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -56.88 -46.05 99.9 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.687 0.756 . . . . 0.0 110.826 -179.797 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 35' ' ' SER . 65.2 Cg_exo -47.92 -21.84 2.93 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.725 2.283 . . . . 0.0 112.349 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -92.73 -38.13 11.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.24 -152.91 9.11 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.48 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -104.24 127.55 51.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.819 0.342 . . . . 0.0 110.898 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 46.6 mt -89.02 112.07 23.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.1 pt -97.19 -22.87 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.13 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -144.92 107.98 4.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.8 tp -128.43 111.13 12.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 59.1 p -123.23 137.46 54.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.852 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.423 ' HE3' ' N ' ' A' ' 27' ' ' PRO . 1.9 mmm -118.91 134.04 55.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.533 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 4.0 m-20 -118.0 95.58 48.4 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.579 0.704 . . . . 0.0 110.879 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.594 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 66.0 Cg_exo -47.98 -43.36 30.34 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.688 2.259 . . . . 0.0 112.364 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.4 Cg_exo -47.96 -63.77 0.29 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.704 2.269 . . . . 0.0 112.402 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.2 mmp_? -86.51 -1.99 58.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.6 m120 55.54 36.89 28.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.3 p -112.72 179.17 4.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -160.35 134.61 7.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.044 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -108.65 106.09 16.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.6 t -105.58 122.27 58.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.116 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 34.8 m -105.69 132.71 51.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.517 ' CE2' HD11 ' A' ' 18' ' ' LEU . 12.5 m-85 -99.37 147.0 25.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -58.58 -23.97 59.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.0 mmtt -128.56 168.8 15.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.9 ptm -81.6 -44.82 16.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.883 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -39.47 -47.16 1.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.41 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 37.9 m -57.17 -50.04 74.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.458 ' HA ' ' CD2' ' A' ' 18' ' ' LEU . . . -38.72 -60.86 0.78 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.14 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.36 -42.51 98.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -53.52 -66.04 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -49.23 -62.02 1.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.9 t -48.83 -20.92 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.42 -35.0 21.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.105 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -98.08 -57.63 2.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.519 ' CD1' ' CE2' ' A' ' 34' ' ' PHE . 10.1 mt -54.66 -16.61 2.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -63.93 112.69 3.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 64.6 17.54 62.53 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.45 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.3 t -80.99 150.19 29.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.733 0.301 . . . . 0.0 111.138 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -111.82 97.28 6.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.3 m -114.61 141.69 30.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 55.17 31.07 15.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.3 m 67.03 26.94 8.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.824 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 19.8 t -136.31 123.86 33.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.152 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -75.99 110.42 10.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.3 mt -98.6 137.06 37.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.3 mtmt -118.78 109.51 16.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 5.0 t -106.3 149.22 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -152.82 146.18 24.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 7.2 mm -69.79 100.45 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 179.772 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.896 0.379 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.4 m -84.59 153.54 23.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.152 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.477 HD11 ' CE2' ' A' ' 56' ' ' TYR . 4.9 mt -134.9 134.22 40.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -85.04 109.49 18.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.409 HG23 ' CZ ' ' A' ' 34' ' ' PHE . 18.5 t -105.51 146.56 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.114 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -139.19 130.23 26.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.932 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.435 ' HA3' ' CG ' ' A' ' 25' ' ' MET . . . -143.27 -177.46 18.25 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.496 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -125.2 -51.59 1.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.842 0.353 . . . . 0.0 110.884 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -117.96 45.25 2.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.435 ' CG ' ' HA3' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -115.36 160.09 20.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.7 p -130.48 155.74 80.64 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.603 0.716 . . . . 0.0 111.173 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_exo -47.87 -59.19 1.34 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.386 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 99.5 m -49.18 -33.59 12.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.3 tt -66.02 -47.56 74.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.939 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.7 mt -61.82 -28.75 69.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -60.31 -44.01 95.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -90.29 -9.85 64.7 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.505 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.36 -33.86 15.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.805 0.336 . . . . 0.0 111.115 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.471 ' CE2' ' CD1' ' A' ' 69' ' ' LEU . 35.3 m-85 -95.4 -17.8 21.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.575 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -62.88 -46.16 87.58 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.687 0.756 . . . . 0.0 110.839 -179.797 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' ' 35' ' ' SER . 65.4 Cg_exo -48.02 -19.8 1.78 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.673 2.249 . . . . 0.0 112.316 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -89.82 -38.82 13.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -172.98 -127.77 1.0 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.491 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -125.02 136.01 53.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.799 0.333 . . . . 0.0 110.893 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.413 ' CG2' ' HB2' ' A' ' 43' ' ' LEU . 37.4 mt -98.58 104.92 16.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.102 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.1 pt -91.73 -18.57 7.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -150.49 107.78 3.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.825 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.413 ' HB2' ' CG2' ' A' ' 40' ' ' ILE . 10.8 tp -130.38 112.98 13.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.2 m -125.73 145.57 50.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.409 ' SD ' ' CB ' ' A' ' 52' ' ' ALA . 2.3 mmm -122.19 146.25 47.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.537 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 0.6 OUTLIER -128.98 95.66 31.0 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.566 0.698 . . . . 0.0 110.844 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.59 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 65.0 Cg_exo -48.05 -43.29 30.89 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.327 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.7 Cg_exo -48.03 -59.73 1.14 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.697 2.265 . . . . 0.0 112.339 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -91.9 3.6 54.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 48.87 41.09 17.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 25.7 p -117.94 175.88 5.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.409 ' CB ' ' SD ' ' A' ' 45' ' ' MET . . . -153.57 135.93 14.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.097 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -108.77 106.35 16.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 49.2 t -105.11 122.03 57.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.115 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.5 m -106.1 129.65 54.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.175 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.496 ' CD2' ' HB3' ' A' ' 61' ' ' SER . 21.0 m-85 -97.73 142.63 29.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -54.15 -26.71 29.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.865 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.421 ' NZ ' ' HA ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -127.07 168.14 15.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.3 ptp -82.65 -39.86 21.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -42.16 -42.21 2.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.496 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 21.6 m -63.95 -47.84 78.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.808 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.422 ' CB ' HD22 ' A' ' 18' ' ' LEU . . . -40.51 -58.86 1.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.073 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -62.77 -39.4 94.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.831 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -58.35 -67.4 0.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -45.7 -57.36 4.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.053 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.421 HG21 ' CD1' ' A' ' 83' ' ' ILE . 14.0 t -56.62 -18.02 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.118 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.1 -35.78 15.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -98.03 -58.36 2.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.471 ' CD1' ' CE2' ' A' ' 34' ' ' PHE . 9.4 mt -53.43 -38.26 63.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -39.74 116.73 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 55.93 35.74 64.61 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.455 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.407 ' N ' ' O ' ' A' ' 69' ' ' LEU . 6.7 t -90.59 167.18 12.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.749 0.309 . . . . 0.0 111.123 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -127.47 95.99 4.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.4 m -118.13 143.15 29.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 54.21 29.28 10.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.1 m 67.56 29.27 7.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 43.7 t -137.49 120.73 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -71.74 112.54 7.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.5 mt -99.45 138.48 36.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.972 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.93 109.51 15.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 13.9 t -108.18 145.79 14.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -145.31 158.16 43.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.421 ' CD1' HG21 ' A' ' 66' ' ' VAL . 8.6 mm -77.18 97.24 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.833 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.8 t30 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.887 0.375 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.4 m -85.28 156.22 21.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.8 mt -136.74 126.02 24.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.942 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -80.03 105.48 11.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.1 t -95.99 140.5 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.101 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -132.99 116.81 16.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.948 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.457 ' N ' ' HE2' ' A' ' 25' ' ' MET . . . -139.22 178.23 19.7 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.468 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.538 ' CD ' ' N ' ' A' ' 23' ' ' GLU . 2.7 mp0 -117.98 -70.5 0.79 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.889 0.376 . . . . 0.0 110.86 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -101.86 53.23 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.457 ' HE2' ' N ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -123.79 150.28 44.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.4 p -122.41 158.6 55.57 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.557 0.694 . . . . 0.0 111.123 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -47.99 -55.57 3.89 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.686 2.257 . . . . 0.0 112.321 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.8 m -47.34 -37.15 10.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.6 tt -66.24 -52.91 43.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.1 mt -58.11 -28.95 65.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.43 ' HA ' ' CD1' ' A' ' 40' ' ' ILE . 65.2 mtp85 -60.15 -46.68 88.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -87.66 -5.48 78.26 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.513 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.51 -31.71 12.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.357 . . . . 0.0 111.123 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.565 ' CZ ' HD11 ' A' ' 69' ' ' LEU . 33.8 m-85 -96.19 -26.17 15.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.579 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -53.84 -46.23 98.56 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.707 0.765 . . . . 0.0 110.887 -179.787 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 35' ' ' SER . 64.8 Cg_exo -47.97 -32.17 17.41 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.682 2.254 . . . . 0.0 112.341 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -82.36 -38.45 24.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.48 -162.08 22.17 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.474 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -96.02 120.74 36.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.828 0.346 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.43 ' CD1' ' HA ' ' A' ' 31' ' ' ARG . 56.7 mt -81.47 109.44 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.7 pt -99.41 -30.12 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -136.52 107.13 6.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.7 tp -127.66 110.25 12.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 m -117.45 137.4 52.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.822 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 7.8 mmm -125.29 130.37 51.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.531 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 16.9 t70 -123.35 95.56 45.27 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.567 0.699 . . . . 0.0 110.793 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.584 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 66.1 Cg_exo -48.02 -43.31 30.67 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.67 2.247 . . . . 0.0 112.362 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.1 Cg_exo -47.92 -64.54 0.23 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.673 2.248 . . . . 0.0 112.343 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.62 -1.54 31.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 m120 52.75 44.22 30.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.7 p -144.86 175.51 10.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -152.94 171.12 18.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.073 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -134.4 100.9 4.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.868 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.48 HG13 ' CD2' ' A' ' 34' ' ' PHE . 63.6 t -95.37 126.18 47.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 59.3 m -107.25 144.36 34.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.45 ' CD2' ' HB3' ' A' ' 61' ' ' SER . 13.8 m-85 -113.5 142.36 46.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.92 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 63.4 tt0 -55.17 -21.48 13.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -131.73 152.2 51.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -73.62 -23.36 59.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -58.77 -42.09 88.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.45 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 23.5 m -64.78 -34.41 78.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.14 -59.48 3.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.129 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -64.12 -34.87 79.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -60.6 -68.12 0.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -48.11 -54.82 11.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.47 ' CG2' HD11 ' A' ' 83' ' ' ILE . 5.5 t -54.81 -15.64 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.86 -35.78 14.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -98.0 -58.98 1.85 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.565 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 9.4 mt -54.65 -22.96 15.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.934 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.03 114.04 2.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 65.69 14.99 61.36 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.481 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.5 t -77.24 160.98 28.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.759 0.314 . . . . 0.0 111.094 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -124.43 94.99 4.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.1 m -112.41 141.74 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 55.08 32.08 17.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 48.7 m 64.46 30.27 13.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.865 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 94.9 t -137.29 111.86 9.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.161 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -67.88 110.1 3.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.424 ' CD2' ' HG2' ' A' ' 25' ' ' MET . 38.5 mt -100.56 140.84 34.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -121.15 106.27 11.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.0 t -106.92 137.86 35.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -140.99 155.76 46.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.47 HD11 ' CG2' ' A' ' 66' ' ' VAL . 17.5 mm -69.35 95.14 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.115 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 179.798 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.9 m120 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.904 0.383 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.14 147.36 26.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.55 HD12 ' CE2' ' A' ' 56' ' ' TYR . 7.4 mt -129.42 127.88 41.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -80.08 112.54 17.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.565 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 21.8 t -108.28 142.2 21.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.091 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -138.95 122.5 17.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -137.47 -176.74 14.6 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.544 ' CD ' ' N ' ' A' ' 23' ' ' GLU . 2.8 mp0 -117.02 -66.2 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.869 0.366 . . . . 0.0 110.871 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -107.51 51.12 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.62 151.77 36.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.9 p -121.43 155.54 59.0 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.604 0.716 . . . . 0.0 111.125 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.415 ' N ' ' HE3' ' A' ' 45' ' ' MET . 65.6 Cg_exo -48.03 -58.3 1.83 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.715 2.276 . . . . 0.0 112.328 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.2 m -50.25 -32.04 15.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.171 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.42 ' HG ' ' CD ' ' A' ' 75' ' ' GLU . 5.5 tt -66.19 -50.99 61.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.953 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.3 mt -59.0 -31.32 68.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.1 mtm180 -55.84 -44.2 77.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.842 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -89.78 -9.46 66.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.533 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.45 -33.85 16.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.801 0.334 . . . . 0.0 111.096 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.565 ' CZ ' HG21 ' A' ' 20' ' ' VAL . 19.4 m-85 -95.94 -24.59 16.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.573 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -55.88 -46.21 99.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.688 0.756 . . . . 0.0 110.829 -179.765 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.573 ' CD ' ' N ' ' A' ' 35' ' ' SER . 64.8 Cg_exo -47.96 -27.28 8.56 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.662 2.241 . . . . 0.0 112.342 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -82.2 -35.35 28.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -175.24 -122.02 0.67 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.481 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -132.53 131.08 41.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.785 0.326 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.6 mt -92.53 115.1 30.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.3 pt -98.12 -28.9 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.166 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -139.34 107.7 5.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.7 tp -127.92 112.73 15.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.2 p -126.92 133.51 50.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.415 ' HE3' ' N ' ' A' ' 27' ' ' PRO . 1.3 mmt -112.72 133.47 54.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.538 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 61.4 m-20 -115.37 95.61 43.35 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.631 0.729 . . . . 0.0 110.874 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.59 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 64.1 Cg_exo -47.96 -43.34 30.27 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.656 2.237 . . . . 0.0 112.358 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.2 Cg_exo -47.97 -64.8 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.658 2.239 . . . . 0.0 112.372 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 50' ' ' ASN . 7.7 mmm180 -87.36 17.9 4.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.913 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 49' ' ' ARG . 78.4 m-20 36.29 41.54 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 18.0 p -126.76 -178.59 4.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -157.2 167.09 31.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.115 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -134.62 103.78 5.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.407 HG13 ' CD2' ' A' ' 34' ' ' PHE . 47.9 t -101.09 125.62 55.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.6 m -111.46 129.78 55.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.55 ' CE2' HD12 ' A' ' 18' ' ' LEU . 21.8 m-85 -96.65 149.28 21.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -67.31 -32.69 73.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -115.5 110.86 19.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.448 ' O ' ' N ' ' A' ' 62' ' ' ALA . 19.0 ptp -34.75 -48.17 0.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 59' ' ' MET . 12.2 pt-20 -35.22 -51.94 0.58 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.428 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 27.4 m -53.05 -44.61 67.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.839 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.461 ' HA ' ' CD2' ' A' ' 18' ' ' LEU . . . -36.93 -64.48 0.35 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.056 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.3 -44.35 95.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -48.65 -61.74 1.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -52.44 -63.25 1.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.9 t -51.82 -19.21 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.06 -38.58 16.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -98.04 -57.01 2.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.467 ' N ' ' O ' ' A' ' 65' ' ' ALA . 9.3 mt -53.07 -39.64 63.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 69' ' ' LEU . 1.1 t30 -37.38 116.54 0.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 53.87 41.14 66.66 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.489 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.405 ' N ' ' O ' ' A' ' 69' ' ' LEU . 7.2 t -96.41 156.43 16.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.766 0.317 . . . . 0.0 111.149 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -113.12 95.15 5.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.0 m -118.01 139.48 45.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.42 ' CD ' ' HG ' ' A' ' 29' ' ' LEU . 13.2 mt-10 52.09 34.26 13.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 32.7 m 62.43 32.17 16.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.825 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 50.9 t -138.53 115.5 11.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.143 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -70.33 108.92 4.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 15.5 mt -96.37 141.37 29.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -121.53 107.89 12.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.5 t -106.27 144.15 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -151.84 138.78 19.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 16.7 mm -65.8 97.83 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.111 179.801 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 56' ' ' TYR . 3.9 t-20 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.939 0.399 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.0 m -86.28 156.18 20.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.438 ' CD2' ' HA ' ' A' ' 62' ' ' ALA . 10.7 mt -140.28 124.89 18.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -82.07 104.44 12.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.543 HG23 ' CZ ' ' A' ' 34' ' ' PHE . 38.3 t -97.05 149.39 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.173 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -140.78 131.62 25.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.922 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.441 ' HA3' ' CG ' ' A' ' 25' ' ' MET . . . -147.78 -177.14 21.94 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.471 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -127.46 -49.2 1.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.803 0.335 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -118.55 43.82 2.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.441 ' CG ' ' HA3' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -115.51 154.16 29.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.6 p -125.82 156.79 70.76 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.586 0.708 . . . . 0.0 111.131 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.436 ' N ' ' HE3' ' A' ' 45' ' ' MET . 64.4 Cg_exo -47.97 -60.11 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.683 2.255 . . . . 0.0 112.386 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.4 m -48.67 -30.65 5.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.167 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.403 ' CD2' ' HG3' ' A' ' 75' ' ' GLU . 6.0 tt -69.64 -53.0 20.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.1 mt -58.62 -27.3 64.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.914 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.419 ' HB3' ' NH1' ' A' ' 31' ' ' ARG . 7.8 mtp-105 -62.48 -44.97 95.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -87.32 -7.15 76.94 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.481 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.402 ' C ' ' HD2' ' A' ' 36' ' ' PRO . . . -96.3 -35.44 11.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.832 0.349 . . . . 0.0 111.112 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.569 ' CE2' HD12 ' A' ' 69' ' ' LEU . 29.9 m-85 -92.23 -20.26 21.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.847 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.579 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -60.08 -46.09 97.97 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.649 0.737 . . . . 0.0 110.832 -179.776 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 35' ' ' SER . 63.9 Cg_exo -47.96 -25.26 6.09 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.633 2.222 . . . . 0.0 112.376 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.453 ' CE1' ' HG ' ' A' ' 69' ' ' LEU . 82.8 m-85 -87.01 -28.4 22.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 177.77 -137.44 3.4 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -119.21 127.82 53.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.758 0.314 . . . . 0.0 110.896 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.408 ' CD1' ' HA ' ' A' ' 31' ' ' ARG . 38.4 mt -89.99 106.86 17.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.8 pt -93.93 -22.32 5.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -145.5 111.64 5.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.4 tp -135.3 109.17 8.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.3 m -117.08 134.2 55.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.436 ' HE3' ' N ' ' A' ' 27' ' ' PRO . 2.3 mmm -116.6 129.22 56.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.529 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 1.6 m-20 -120.66 95.65 48.95 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.637 0.732 . . . . 0.0 110.857 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.582 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 65.1 Cg_exo -47.98 -43.28 30.55 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.701 2.267 . . . . 0.0 112.348 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.6 Cg_exo -48.04 -51.51 9.84 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.68 2.253 . . . . 0.0 112.335 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 66.3 mmt-85 -96.41 12.73 30.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 38.98 36.82 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 26.3 p -132.56 171.51 13.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -150.42 165.38 33.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -127.94 102.09 6.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 65.6 t -98.33 123.51 50.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.158 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.9 m -107.63 135.96 48.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.494 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 15.0 m-85 -103.79 142.48 34.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -52.9 -35.62 58.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.3 167.37 10.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 9.8 ptp -83.48 -35.35 24.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -47.46 -50.9 21.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.48 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 67.2 m -51.35 -49.88 60.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.438 ' HA ' ' CD2' ' A' ' 18' ' ' LEU . . . -37.95 -58.95 0.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.099 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.05 -37.93 89.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -57.79 -66.9 0.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -47.28 -55.98 7.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.458 ' CG2' HD12 ' A' ' 83' ' ' ILE . 13.7 t -53.51 -17.34 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.07 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -91.2 -39.52 12.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -97.91 -58.39 2.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.569 HD12 ' CE2' ' A' ' 34' ' ' PHE . 9.1 mt -56.67 -13.15 2.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.405 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -70.85 115.86 10.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 179.894 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 65.92 13.83 60.05 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.519 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.3 t -78.43 153.35 31.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.751 0.31 . . . . 0.0 111.16 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -114.8 95.07 5.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.2 m -110.93 141.59 25.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.099 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.403 ' HG3' ' CD2' ' A' ' 29' ' ' LEU . 5.8 mm-40 54.51 34.96 22.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.0 m 62.43 28.87 17.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.821 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 70.6 t -138.04 117.61 15.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -68.92 107.31 3.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.9 mt -94.15 130.13 40.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.57 108.33 18.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.909 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.449 ' CG2' ' HB3' ' A' ' 69' ' ' LEU . 3.6 t -109.14 135.27 48.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -138.25 155.3 48.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.458 HD12 ' CG2' ' A' ' 66' ' ' VAL . 13.9 mm -69.82 96.17 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.158 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.822 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.7 p-10 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.926 0.393 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.6 m -86.19 155.71 20.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.458 HD13 ' CD2' ' A' ' 56' ' ' TYR . 10.7 mt -139.91 127.4 21.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -85.71 111.64 20.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.554 HG22 ' CZ ' ' A' ' 34' ' ' PHE . 42.1 t -102.63 151.28 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.12 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.455 ' CD1' ' N ' ' A' ' 22' ' ' GLY . 10.3 t80 -133.4 145.49 50.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.455 ' N ' ' CD1' ' A' ' 21' ' ' TYR . . . -165.12 -179.97 39.34 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.505 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -133.47 -39.88 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.35 . . . . 0.0 110.841 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -124.48 41.16 3.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.415 ' CG ' ' HA3' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -115.35 157.54 23.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 47.8 p -130.9 155.64 81.19 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.598 0.713 . . . . 0.0 111.114 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -48.01 -57.24 2.46 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.682 2.255 . . . . 0.0 112.322 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 52.1 m -46.85 -34.04 5.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.118 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.6 tt -69.91 -50.34 43.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.6 mt -59.38 -26.48 65.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -63.52 -43.56 96.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -90.93 -5.23 68.42 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.512 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.9 -35.51 10.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.79 0.329 . . . . 0.0 111.071 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.607 ' CE2' ' CD1' ' A' ' 69' ' ' LEU . 42.1 m-85 -93.5 -21.19 19.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.584 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -58.99 -45.94 99.55 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.645 0.736 . . . . 0.0 110.844 -179.774 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 35' ' ' SER . 66.1 Cg_exo -48.0 -33.98 21.8 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.73 2.287 . . . . 0.0 112.306 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -78.93 -36.3 41.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -178.09 -165.13 32.43 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.477 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -89.33 130.9 35.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.777 0.322 . . . . 0.0 110.902 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 60.4 mt -93.15 110.55 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 14.1 pt -95.88 -25.71 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.144 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -142.1 111.74 6.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.8 tp -133.41 111.21 10.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.944 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.4 p -122.04 141.38 51.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.8 mmm -123.22 135.05 54.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.532 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 9.7 m-20 -120.18 95.52 49.1 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.54 0.686 . . . . 0.0 110.886 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.596 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 64.4 Cg_exo -47.95 -43.39 30.09 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.7 2.267 . . . . 0.0 112.329 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 64.6 Cg_exo -47.9 -58.31 1.82 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 51' ' ' CYS . 8.4 mmt85 -92.48 15.72 13.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 38.65 30.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.412 ' N ' ' O ' ' A' ' 49' ' ' ARG . 72.6 m -116.25 -177.33 3.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.501 ' C ' ' CD1' ' A' ' 53' ' ' PHE . . . -159.97 175.77 12.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.501 ' CD1' ' C ' ' A' ' 52' ' ' ALA . 1.5 m-85 -146.49 108.77 4.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 49.0 t -106.81 133.97 49.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.4 m -112.82 140.82 47.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.567 ' CD2' ' HB3' ' A' ' 61' ' ' SER . 20.7 m-85 -109.08 141.66 40.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -58.62 -23.29 58.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 33.8 mttm -122.22 169.8 10.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.842 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.8 ptp -84.57 -46.84 11.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -42.37 -42.95 3.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.567 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 36.4 m -58.59 -48.8 79.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -44.8 -56.91 4.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.15 -45.09 86.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.833 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -52.6 -65.46 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -46.89 -62.29 1.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.087 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.8 t -50.35 -18.39 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.168 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.47 -35.13 18.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.076 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -98.13 -58.28 2.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.607 ' CD1' ' CE2' ' A' ' 34' ' ' PHE . 8.9 mt -53.39 -26.49 19.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -52.33 117.02 2.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 56.65 22.15 38.52 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.453 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.3 t -81.18 155.21 26.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.787 0.327 . . . . 0.0 111.135 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -116.85 95.39 4.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.3 m -114.31 142.22 27.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.117 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 54.37 34.78 21.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.7 m 63.59 29.97 15.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 41.4 t -138.02 121.6 20.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.089 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -76.09 102.64 5.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 29.0 mt -92.43 141.78 28.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.4 ttmm -122.73 112.0 17.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.2 t -109.96 145.27 16.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.46 ' C ' ' ND2' ' A' ' 82' ' ' ASN . 0.2 OUTLIER -147.83 151.38 35.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.9 mm -72.55 94.7 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.077 179.833 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.898 0.38 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.8 m -84.16 151.99 24.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.539 HD13 ' CD2' ' A' ' 56' ' ' TYR . 10.3 mt -137.41 126.26 24.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -80.98 118.67 22.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.95 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.472 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 4.6 t -114.04 142.63 26.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.136 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -133.43 124.66 27.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.408 ' HA3' ' CG ' ' A' ' 25' ' ' MET . . . -138.78 -175.61 14.09 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.522 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -131.57 -42.25 1.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.914 0.387 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.74 43.48 2.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.408 ' CG ' ' HA3' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -118.96 151.9 37.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.8 p -121.97 158.21 55.57 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.541 0.686 . . . . 0.0 111.165 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -48.01 -55.47 3.99 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.657 2.238 . . . . 0.0 112.353 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.9 m -57.77 -30.55 65.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.164 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.43 ' CG ' ' HG3' ' A' ' 75' ' ' GLU . 6.0 tt -65.27 -47.5 76.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.0 mt -64.0 -30.27 71.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.0 mtp180 -56.21 -41.05 74.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -92.37 -6.0 64.85 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.531 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.31 -33.66 13.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 0.0 111.105 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.562 ' CZ ' HD11 ' A' ' 69' ' ' LEU . 35.0 m-85 -95.78 -29.31 14.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.575 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -51.34 -45.95 89.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.637 0.732 . . . . 0.0 110.841 -179.756 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' ' 35' ' ' SER . 64.8 Cg_exo -48.02 -20.56 2.18 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.708 2.272 . . . . 0.0 112.343 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -91.79 -35.78 13.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.67 -137.19 2.41 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -117.59 123.16 45.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.753 0.311 . . . . 0.0 110.89 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.9 mt -83.89 105.44 13.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.198 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.2 pt -91.05 -16.7 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -151.42 111.02 4.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.6 tp -133.81 109.68 9.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.9 t -120.29 148.54 43.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -125.49 141.86 51.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.536 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 42.1 m-20 -130.07 95.48 28.08 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.622 0.725 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.592 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 64.8 Cg_exo -47.93 -43.27 30.28 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.658 2.239 . . . . 0.0 112.41 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.592 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.6 Cg_exo -48.0 -65.32 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.705 2.27 . . . . 0.0 112.317 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.8 mmm-85 -85.98 0.8 52.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 49.92 50.51 18.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 26.4 p -134.35 175.42 9.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -153.82 152.34 30.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -117.15 102.73 9.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.899 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.493 HG12 ' CD2' ' A' ' 34' ' ' PHE . 66.4 t -101.6 117.53 47.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.089 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 53.2 m -106.03 135.26 47.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.539 ' CD2' HD13 ' A' ' 18' ' ' LEU . 29.4 m-85 -101.76 145.93 28.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -60.42 -18.36 50.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -129.18 157.31 42.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.427 ' HG2' ' N ' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -77.9 -29.66 50.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.897 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.427 ' N ' ' HG2' ' A' ' 59' ' ' MET . 2.5 pt-20 -59.36 -33.95 71.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.5 m -70.97 -36.59 72.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.866 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -53.58 -53.78 46.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.12 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.419 ' CG ' ' N ' ' A' ' 64' ' ' GLN . 0.2 OUTLIER -64.4 -47.42 79.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.419 ' N ' ' CG ' ' A' ' 63' ' ' ASP . 32.9 mt-30 -51.55 -64.35 0.84 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -46.14 -61.97 1.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.098 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.445 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 12.9 t -51.1 -20.19 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.13 -35.89 18.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -98.03 -58.09 2.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.562 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 8.7 mt -54.81 -20.99 9.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.445 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -63.15 118.65 8.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.931 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 65.78 13.03 58.48 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.1 t -75.43 158.69 32.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.788 0.328 . . . . 0.0 111.138 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -120.7 95.0 4.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.2 m -112.0 141.86 26.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.43 ' HG3' ' CG ' ' A' ' 29' ' ' LEU . 5.2 mm-40 52.07 39.45 26.51 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.7 m 58.57 29.01 17.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.1 t -138.16 118.05 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.153 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -69.52 111.36 5.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.7 mt -95.1 133.03 39.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -114.08 106.64 14.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.0 t -105.45 149.55 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -152.79 149.16 28.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.442 ' CD1' HG21 ' A' ' 66' ' ' VAL . 9.2 mm -68.92 95.3 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.131 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 83' ' ' ILE . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.061 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.3 t30 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.936 0.398 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.0 m -86.03 156.16 20.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.13 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.1 mt -138.42 127.05 23.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -83.85 102.46 12.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.956 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.475 HG22 ' CZ ' ' A' ' 34' ' ' PHE . 41.7 t -96.14 145.87 8.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.163 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -135.62 132.74 37.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.97 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.415 ' HA3' ' CG ' ' A' ' 25' ' ' MET . . . -151.55 178.97 28.56 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.435 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -126.35 -48.75 1.56 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.868 0.366 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -118.8 45.96 1.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.415 ' CG ' ' HA3' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -115.18 157.87 23.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.1 p -129.33 153.99 80.59 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.57 0.7 . . . . 0.0 111.109 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.438 ' N ' ' HE2' ' A' ' 45' ' ' MET . 65.7 Cg_exo -47.98 -62.56 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.682 2.255 . . . . 0.0 112.325 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 86.4 m -45.9 -31.45 2.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.6 tt -69.38 -49.25 57.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.2 mt -61.09 -30.58 70.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.932 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.45 ' HA ' ' CD1' ' A' ' 40' ' ' ILE . 13.6 mtp85 -58.02 -44.41 87.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -89.38 -11.07 64.93 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.499 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.69 -32.62 16.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.802 0.334 . . . . 0.0 111.128 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.533 ' CZ ' HD13 ' A' ' 69' ' ' LEU . 28.1 m-85 -95.36 -28.03 15.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.93 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.574 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -52.51 -46.09 95.44 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.672 0.749 . . . . 0.0 110.871 -179.776 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 35' ' ' SER . 64.5 Cg_exo -47.97 -21.43 2.69 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.671 2.247 . . . . 0.0 112.339 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -91.9 -29.31 16.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 177.99 -139.76 4.35 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.523 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -115.05 122.28 45.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.748 0.309 . . . . 0.0 110.962 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.45 ' CD1' ' HA ' ' A' ' 31' ' ' ARG . 35.9 mt -83.34 105.4 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.086 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.5 pt -94.34 -21.01 5.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.152 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -143.77 106.04 4.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.881 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.9 tp -130.75 111.62 12.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.1 t -121.53 145.59 47.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.438 ' HE2' ' N ' ' A' ' 27' ' ' PRO . 1.8 mmt -130.62 135.91 48.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.527 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 16.0 t0 -132.64 95.54 19.89 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.592 0.71 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.582 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 64.3 Cg_exo -47.91 -43.36 29.92 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.696 2.264 . . . . 0.0 112.34 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 64.8 Cg_exo -47.93 -63.24 0.33 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.698 2.265 . . . . 0.0 112.35 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.8 mmt85 -79.91 -0.87 36.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 m120 50.49 47.1 24.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.5 p -147.96 170.82 16.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -150.03 168.37 24.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -131.66 108.01 9.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 65.7 t -104.09 134.53 45.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.403 HG21 ' N ' ' A' ' 56' ' ' TYR . 51.2 m -117.69 149.97 39.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.171 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.403 ' N ' HG21 ' A' ' 55' ' ' THR . 21.7 m-85 -118.46 141.12 48.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -58.97 -16.28 17.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -136.34 112.61 9.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 62' ' ' ALA . 10.6 ptp -37.81 -42.37 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 59' ' ' MET . 16.3 pt-20 -37.09 -51.97 0.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.929 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 72.6 m -57.93 -40.4 80.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 59' ' ' MET . . . -40.82 -57.4 1.95 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.127 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.421 ' C ' ' OD1' ' A' ' 63' ' ' ASP . 1.6 t0 -65.73 -40.13 91.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -54.5 -65.76 0.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -46.78 -57.93 4.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.087 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.438 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 14.6 t -52.75 -18.69 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.75 -37.91 16.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.068 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -97.75 -58.97 1.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.533 HD13 ' CZ ' ' A' ' 34' ' ' PHE . 10.4 mt -52.33 -32.47 38.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -50.22 117.3 2.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 58.67 26.41 60.01 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.517 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.4 t -88.4 155.29 19.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.712 0.291 . . . . 0.0 111.166 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -114.66 95.72 5.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.6 m -113.66 140.11 35.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.09 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 54.56 30.7 13.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 t 68.51 29.99 5.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 39.5 t -138.34 116.99 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.12 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -71.93 100.45 2.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.8 mt -89.91 136.98 32.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 27.1 mttm -119.28 108.78 15.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.6 t -110.5 140.14 30.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.142 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -145.04 141.84 29.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.401 ' CD1' HG23 ' A' ' 66' ' ' VAL . 6.1 mm -66.38 109.26 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.119 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.138 179.794 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.959 0.409 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.3 m -84.6 153.66 23.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.3 mt -136.5 127.69 28.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -81.61 108.11 14.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.479 HG23 ' CZ ' ' A' ' 34' ' ' PHE . 16.8 t -106.64 143.3 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.123 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.419 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 5.3 t80 -137.83 127.53 25.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.417 ' N ' ' HE1' ' A' ' 25' ' ' MET . . . -138.84 -165.74 10.37 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.495 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -132.23 -56.4 0.97 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.891 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -114.15 41.58 2.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.446 ' HG2' ' CD2' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -109.95 151.79 26.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.6 p -124.6 156.91 67.22 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.663 0.744 . . . . 0.0 111.116 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -47.97 -62.56 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.661 2.241 . . . . 0.0 112.342 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 94.2 m -46.71 -34.18 4.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.167 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.5 tt -66.79 -47.76 71.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.6 mt -61.12 -30.76 70.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.7 mtp180 -59.19 -41.11 87.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -91.35 -7.49 65.27 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.459 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.14 -34.55 13.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.81 0.338 . . . . 0.0 111.083 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.58 ' CE2' ' CD1' ' A' ' 69' ' ' LEU . 36.9 m-85 -94.41 -22.75 18.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.572 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -58.37 -46.09 99.65 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.631 0.729 . . . . 0.0 110.856 -179.799 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 35' ' ' SER . 64.2 Cg_exo -47.9 -19.16 1.36 Allowed 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.691 2.26 . . . . 0.0 112.381 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -91.36 -37.07 13.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.25 -129.4 1.17 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.508 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -123.82 133.77 53.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.81 0.338 . . . . 0.0 110.901 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 33.5 mt -96.7 113.72 31.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.082 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.5 pt -99.51 -24.01 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -141.67 107.75 5.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.1 tp -129.9 110.15 11.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.3 t -129.76 134.8 47.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.828 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -107.32 151.45 25.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.87 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.531 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 16.7 t70 -129.18 95.6 30.53 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.586 0.708 . . . . 0.0 110.845 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.596 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 65.1 Cg_exo -47.96 -43.42 30.05 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.753 2.302 . . . . 0.0 112.297 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 64.0 Cg_exo -47.93 -65.2 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.698 2.265 . . . . 0.0 112.359 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -89.59 12.36 16.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.0 m120 40.85 44.06 1.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 7.5 p -120.68 -177.92 3.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -156.79 148.53 22.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.083 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -119.64 102.77 8.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 45.8 t -101.65 115.2 42.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.148 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.3 m -97.32 139.79 32.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.46 ' CD2' ' CB ' ' A' ' 61' ' ' SER . 14.5 m-85 -107.57 142.16 37.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -58.64 -19.9 43.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -128.15 166.55 18.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.25 -21.05 27.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.834 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -61.39 -45.02 96.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.46 ' CB ' ' CD2' ' A' ' 56' ' ' TYR . 48.9 m -59.76 -48.5 81.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -40.31 -60.9 0.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.089 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -63.26 -41.0 98.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -55.43 -67.21 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -47.23 -59.98 2.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.415 ' CB ' HD11 ' A' ' 83' ' ' ILE . 17.5 t -47.99 -21.68 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.75 -36.84 15.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.065 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -97.58 -58.44 2.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.58 ' CD1' ' CE2' ' A' ' 34' ' ' PHE . 9.8 mt -54.93 -17.12 3.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -65.89 118.36 9.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 61.17 18.01 53.85 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.492 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.3 t -82.56 153.62 25.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.743 0.306 . . . . 0.0 111.124 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -114.9 95.12 5.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.2 m -109.71 140.69 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 55.39 29.1 12.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.4 p 68.92 29.3 5.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 43.1 t -138.24 118.91 16.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.132 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -73.42 112.79 9.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.446 ' CD2' ' HG2' ' A' ' 25' ' ' MET . 46.8 mt -102.52 140.55 36.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -118.19 106.11 12.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 16.7 t -104.69 145.87 12.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -147.08 155.58 42.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.415 HD11 ' CB ' ' A' ' 66' ' ' VAL . 14.6 mm -73.14 94.87 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.091 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.092 179.789 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.905 0.383 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.1 m -88.73 156.16 19.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.551 HD13 ' CE2' ' A' ' 56' ' ' TYR . 8.8 mt -139.34 128.28 23.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -81.35 108.87 15.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -108.68 146.56 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.129 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -143.09 118.08 10.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.42 -174.92 13.83 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.514 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.548 ' CD ' ' N ' ' A' ' 23' ' ' GLU . 2.8 mp0 -117.36 -70.32 0.8 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.855 0.36 . . . . 0.0 110.868 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -103.5 52.68 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.41 149.52 42.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.7 p -120.06 156.44 54.62 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.617 0.723 . . . . 0.0 111.107 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_exo -47.99 -53.04 7.22 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.648 2.232 . . . . 0.0 112.346 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 59.8 m -55.62 -33.38 63.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.122 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.7 tt -65.17 -47.14 78.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.8 mt -62.32 -31.47 72.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 42.4 mtt-85 -56.04 -43.12 77.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -90.93 -4.5 69.23 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.07 -32.78 12.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.854 0.359 . . . . 0.0 111.098 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.401 ' CZ ' HD11 ' A' ' 69' ' ' LEU . 23.8 m-85 -95.46 -26.63 15.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.586 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -51.62 -46.03 91.11 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.661 0.743 . . . . 0.0 110.846 -179.756 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 35' ' ' SER . 66.1 Cg_exo -48.0 -37.75 30.4 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.697 2.264 . . . . 0.0 112.318 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -76.42 -37.79 56.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.08 -166.55 32.37 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.504 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -92.54 117.35 29.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.353 . . . . 0.0 110.85 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 33.4 mt -76.33 114.34 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.1 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.1 pt -101.47 -18.9 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.163 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -149.03 108.43 3.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.8 tp -134.6 113.18 11.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.4 m -127.02 145.5 50.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -121.46 136.04 54.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.533 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 4.5 m-20 -122.09 95.68 47.2 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.612 0.72 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.585 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 65.1 Cg_exo -47.97 -43.31 30.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.671 2.247 . . . . 0.0 112.349 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.6 Cg_exo -48.01 -32.74 18.87 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.705 2.27 . . . . 0.0 112.319 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.6 mmm-85 -120.94 14.58 11.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.1 m120 36.54 37.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 27.4 p -122.63 170.09 10.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -145.52 157.84 43.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -127.55 101.2 6.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 45.6 t -98.31 125.63 51.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.177 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.9 m -108.81 136.61 48.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.551 ' CE2' HD13 ' A' ' 18' ' ' LEU . 28.4 m-85 -107.17 144.44 33.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -60.24 -34.59 73.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.9 148.73 31.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.32 -25.93 63.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.835 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -57.76 -44.11 85.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.448 ' HB2' ' CB ' ' A' ' 56' ' ' TYR . 50.7 m -59.22 -48.66 80.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.466 ' HA ' ' CD2' ' A' ' 18' ' ' LEU . . . -40.97 -56.35 2.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.043 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -67.61 -42.62 82.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -55.34 -67.65 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -45.0 -57.49 3.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.12 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.9 t -53.79 -21.53 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.41 -37.01 21.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -97.6 -58.34 2.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 65' ' ' ALA . 8.6 mt -52.43 -22.87 5.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -59.11 115.77 3.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 59.27 25.81 60.72 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.9 t -86.25 159.22 19.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.767 0.318 . . . . 0.0 111.178 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -118.84 95.17 4.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.7 m -112.71 139.93 35.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 54.55 33.74 19.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 48.1 m 64.83 29.82 12.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 49.5 t -138.48 124.17 24.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.179 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -77.51 112.93 14.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.96 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.4 mt -100.79 138.12 38.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.942 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -116.81 106.67 13.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.3 t -106.6 149.85 9.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.14 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 43.0 m-20 -152.82 150.26 29.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 15.8 mm -67.95 97.14 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.167 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.067 179.828 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.951 0.405 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.7 m -84.33 149.36 26.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.171 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.525 ' CD1' ' CE2' ' A' ' 56' ' ' TYR . 7.7 mt -132.76 128.8 37.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -82.56 110.71 17.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.551 HG23 ' CZ ' ' A' ' 34' ' ' PHE . 17.3 t -103.51 147.03 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.12 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.402 ' CD1' ' N ' ' A' ' 22' ' ' GLY . 8.5 t80 -137.55 139.61 40.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.404 ' HA3' ' CG ' ' A' ' 25' ' ' MET . . . -158.64 178.7 34.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.455 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.542 ' CD ' ' N ' ' A' ' 23' ' ' GLU . 2.8 mp0 -119.1 -61.15 1.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.881 0.372 . . . . 0.0 110.896 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -109.96 50.6 0.79 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.409 ' HG2' ' CD2' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -120.8 150.31 41.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.6 p -122.1 158.52 55.02 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.538 0.685 . . . . 0.0 111.16 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -47.95 -61.68 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.69 2.26 . . . . 0.0 112.363 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 94.7 m -44.56 -35.88 2.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.1 tt -65.14 -53.23 48.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.5 mt -56.43 -31.62 64.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.7 mtp180 -58.72 -40.57 84.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -91.56 -5.35 67.0 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.494 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.7 -33.82 12.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.803 0.335 . . . . 0.0 111.103 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.551 ' CZ ' HG23 ' A' ' 20' ' ' VAL . 35.0 m-85 -94.6 -25.31 16.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.576 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -56.84 -45.93 99.9 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.679 0.752 . . . . 0.0 110.863 -179.756 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' ' 35' ' ' SER . 65.9 Cg_exo -47.99 -20.32 2.03 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.677 2.252 . . . . 0.0 112.309 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -90.61 -33.6 15.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -178.41 -124.49 0.87 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.459 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -125.73 140.67 52.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.853 0.359 . . . . 0.0 110.883 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 68.3 mt -104.15 110.3 29.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.2 pt -95.3 -24.23 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -143.42 113.76 7.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.841 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.3 tp -135.95 112.88 10.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.9 t -122.65 147.3 46.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -127.7 141.67 51.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.532 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 8.6 m-20 -126.87 95.6 36.9 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.596 0.713 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.597 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 64.8 Cg_exo -47.97 -43.39 30.19 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.679 2.252 . . . . 0.0 112.321 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.0 Cg_exo -47.92 -62.13 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.657 2.238 . . . . 0.0 112.392 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -85.99 -2.9 58.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.8 m120 55.87 35.69 25.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 50.7 m -121.65 -178.36 3.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -156.98 172.69 18.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.087 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -142.36 109.05 5.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.6 t -106.02 132.94 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.152 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.4 m -116.08 128.95 56.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.183 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.525 ' CE2' ' CD1' ' A' ' 18' ' ' LEU . 27.3 m-85 -96.24 143.12 27.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -58.47 -18.7 30.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -132.46 163.02 29.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.39 -23.48 30.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -62.88 -19.95 64.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.3 m -90.83 -30.17 17.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.69 -54.45 44.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.079 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.36 -39.45 92.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -56.77 -68.21 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -46.47 -56.99 5.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.454 ' CB ' HD12 ' A' ' 83' ' ' ILE . 12.0 t -54.86 -17.31 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.155 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -91.46 -33.78 15.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -97.54 -58.0 2.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.888 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.543 HD13 ' CZ ' ' A' ' 34' ' ' PHE . 9.2 mt -55.84 -21.11 18.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -55.77 115.85 2.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 56.75 23.91 46.4 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.48 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.3 t -82.76 154.12 24.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.719 0.295 . . . . 0.0 111.14 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -114.93 95.48 5.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.2 m -115.87 143.91 24.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 53.83 36.77 24.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.1 m 61.6 28.38 17.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 94.7 t -138.02 127.01 32.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.137 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -80.24 105.51 11.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.409 ' CD2' ' HG2' ' A' ' 25' ' ' MET . 40.4 mt -95.73 141.24 29.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.04 113.43 19.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.419 ' CG2' ' HB3' ' A' ' 69' ' ' LEU . 8.0 t -109.37 145.11 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -148.14 157.28 43.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.454 HD12 ' CB ' ' A' ' 66' ' ' VAL . 11.0 mm -77.26 95.01 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 179.812 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.863 0.363 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.3 m -87.36 151.77 22.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.166 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.411 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 4.6 mt -129.89 131.7 46.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -87.11 98.91 11.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.95 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.558 HG23 ' CZ ' ' A' ' 34' ' ' PHE . 5.7 t -94.13 139.59 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.117 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -141.23 122.51 14.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -137.49 -153.45 6.35 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.454 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -131.07 -61.68 0.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.834 0.35 . . . . 0.0 110.893 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -114.13 42.7 2.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -103.26 139.92 38.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 73.4 p -114.15 155.52 45.43 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.602 0.715 . . . . 0.0 111.113 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -47.95 -61.1 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.705 2.27 . . . . 0.0 112.368 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 90.0 m -49.5 -33.18 13.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.0 tt -66.42 -48.83 68.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.3 mt -59.85 -28.07 67.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.435 ' HB3' ' NH1' ' A' ' 31' ' ' ARG . 9.2 mtp-105 -63.4 -39.01 93.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -92.94 -11.56 58.74 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.24 -30.64 13.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.826 0.346 . . . . 0.0 111.084 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.562 ' CE2' HD12 ' A' ' 69' ' ' LEU . 17.9 m-85 -96.52 -22.74 16.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.587 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -55.36 -46.0 99.77 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.65 0.738 . . . . 0.0 110.864 -179.788 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 35' ' ' SER . 64.8 Cg_exo -47.97 -23.44 4.31 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.661 2.241 . . . . 0.0 112.355 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.528 ' CE2' ' HG ' ' A' ' 69' ' ' LEU . 90.8 m-85 -88.89 -35.8 16.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 179.78 -158.14 21.58 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.485 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -96.16 137.26 35.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.34 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 88.9 mt -99.55 112.11 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.1 pt -99.89 -20.96 5.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -146.54 106.62 4.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 tp -128.27 115.6 18.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 29.1 t -122.16 149.89 42.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.823 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -133.37 140.32 47.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.918 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.531 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 15.5 m-20 -130.77 95.6 25.58 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.588 0.709 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.597 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 65.7 Cg_exo -47.99 -43.27 30.63 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.731 2.287 . . . . 0.0 112.298 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 64.8 Cg_exo -47.91 -59.89 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.724 2.283 . . . . 0.0 112.354 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -88.8 5.23 44.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 47.61 35.1 4.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 12.7 p -125.45 -179.09 4.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -160.73 169.28 23.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.081 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -134.41 102.26 5.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 66.6 t -100.33 132.4 46.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.118 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 27.0 m -114.55 138.48 50.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -106.23 140.98 38.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -53.22 -23.51 8.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -125.42 162.83 23.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.5 ptm -82.21 -29.9 31.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' A' ' 61' ' ' SER . 10.1 pt-20 -55.25 -43.1 74.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.47 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 53.8 m -64.35 -36.75 85.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.909 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.21 -54.93 21.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.155 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -67.5 -31.46 71.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -61.03 -65.44 0.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -47.51 -57.33 5.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.464 HG21 ' CD1' ' A' ' 83' ' ' ILE . 8.2 t -54.04 -15.69 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -91.19 -40.8 11.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -98.14 -59.02 1.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.562 HD12 ' CE2' ' A' ' 34' ' ' PHE . 11.2 mt -54.97 -14.35 1.45 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -66.07 118.33 9.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 60.65 20.97 57.3 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.3 t -87.01 154.17 20.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.738 0.304 . . . . 0.0 111.131 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -115.08 97.92 6.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.4 m -111.72 142.55 23.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 54.86 25.14 6.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.2 m 74.75 28.37 1.17 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 84.1 t -138.54 117.09 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.144 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -74.47 104.32 5.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.8 mt -92.43 150.6 20.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -127.14 107.67 10.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.934 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.411 ' CG1' ' HB3' ' A' ' 18' ' ' LEU . 2.4 t -104.09 129.68 55.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -136.87 137.36 39.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.464 ' CD1' HG21 ' A' ' 66' ' ' VAL . 7.7 mm -65.86 98.04 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.092 179.814 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.9 p-10 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.919 0.39 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.5 m -84.99 152.69 23.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.177 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.409 HD12 ' CE2' ' A' ' 56' ' ' TYR . 10.5 mt -135.36 127.1 29.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.933 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -82.04 107.98 15.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.963 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.0 t -103.76 149.38 7.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.138 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.471 ' CD1' ' N ' ' A' ' 22' ' ' GLY . 11.9 t80 -132.98 148.63 52.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.471 ' N ' ' CD1' ' A' ' 21' ' ' TYR . . . -167.73 177.46 42.06 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.464 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -131.61 -34.56 1.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.922 0.391 . . . . 0.0 110.912 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -126.06 40.98 3.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.438 ' HG2' ' CD2' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -117.5 154.12 31.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.4 p -124.56 157.26 66.05 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.579 0.705 . . . . 0.0 111.148 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.461 ' N ' ' HE1' ' A' ' 45' ' ' MET . 64.5 Cg_exo -47.98 -62.52 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.693 2.262 . . . . 0.0 112.332 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 75.4 m -49.55 -33.35 14.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.155 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.6 tt -62.29 -47.14 85.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.928 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.4 mt -64.31 -31.86 73.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.96 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.424 ' CD ' HD22 ' A' ' 43' ' ' LEU . 31.5 mmm-85 -55.59 -49.09 73.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -83.61 -12.96 76.91 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.505 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.01 -30.49 19.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.83 0.347 . . . . 0.0 111.094 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.562 ' CZ ' HD11 ' A' ' 69' ' ' LEU . 16.5 m-85 -96.71 -13.43 22.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.575 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 0.6 OUTLIER -57.29 -45.89 99.87 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.668 0.747 . . . . 0.0 110.824 -179.778 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' ' 35' ' ' SER . 65.7 Cg_exo -47.93 -51.67 9.51 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.743 2.296 . . . . 0.0 112.343 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.551 ' CE2' ' HG ' ' A' ' 69' ' ' LEU . 98.1 m-85 -61.65 -39.03 89.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 177.94 -155.6 17.6 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.452 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -97.07 142.78 28.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.778 0.323 . . . . 0.0 110.899 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 69.6 mt -102.36 109.83 27.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.137 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.8 pt -95.07 -26.36 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.122 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -139.06 112.77 8.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.424 HD22 ' CD ' ' A' ' 31' ' ' ARG . 7.7 tp -137.77 115.59 11.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.957 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.8 t -128.59 133.93 48.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.461 ' HE1' ' N ' ' A' ' 27' ' ' PRO . 1.0 OUTLIER -111.93 136.0 51.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.537 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 21.9 m-20 -119.81 95.48 49.19 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.611 0.719 . . . . 0.0 110.932 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.591 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 64.8 Cg_exo -47.89 -43.39 29.74 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.703 2.268 . . . . 0.0 112.343 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.0 Cg_exo -47.97 -63.94 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.632 2.221 . . . . 0.0 112.367 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.83 10.36 11.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.1 m120 42.26 40.33 1.73 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 98.8 m -126.82 -177.37 4.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -156.5 164.85 37.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.088 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -136.28 105.4 5.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.6 t -103.42 136.56 35.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.146 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 50.2 m -116.06 145.08 43.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.409 ' CE2' HD12 ' A' ' 18' ' ' LEU . 24.7 m-85 -112.93 140.83 47.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -58.67 -22.82 57.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.6 mttp -130.03 135.44 48.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.419 ' O ' ' C ' ' A' ' 60' ' ' GLU . 9.8 ptp -55.12 -40.68 70.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 59' ' ' MET . 10.5 pt-20 -36.25 -53.3 0.82 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 62' ' ' ALA . 24.0 m -58.03 -48.86 78.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 61' ' ' SER . . . -33.79 -63.03 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.101 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -62.25 -44.62 96.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -52.81 -66.1 0.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.52 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . . . -48.35 -62.13 1.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.5 t -49.82 -21.8 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.125 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.89 -36.97 21.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.057 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -97.85 -58.42 1.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.562 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 9.0 mt -53.88 -15.22 1.23 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.19 108.56 3.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 68.37 22.03 74.52 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.428 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 3.0 t -85.74 151.13 24.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.703 0.287 . . . . 0.0 111.152 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -107.77 97.47 7.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.3 m -114.9 140.04 38.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.084 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 55.25 29.06 12.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.6 t 69.88 29.77 3.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.856 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.5 t -138.54 125.53 26.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.12 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -78.15 102.66 7.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.438 ' CD2' ' HG2' ' A' ' 25' ' ' MET . 30.0 mt -93.3 139.98 30.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 38.3 mttp -120.43 108.28 13.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 12.5 t -106.52 148.04 11.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -148.1 160.11 43.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.6 mm -75.74 94.85 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.117 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.815 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.6 p-10 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.894 0.378 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.3 m -85.2 147.29 26.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.479 HD11 ' CE2' ' A' ' 56' ' ' TYR . 8.1 mt -127.71 136.86 52.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -91.98 110.92 22.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.942 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.555 HG23 ' CZ ' ' A' ' 34' ' ' PHE . 13.6 t -106.07 149.7 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.168 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.4 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 9.2 t80 -138.86 120.43 15.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.967 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -135.76 -174.5 13.41 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.504 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -128.72 -60.08 1.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.901 0.382 . . . . 0.0 110.935 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -108.84 46.2 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.848 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.84 154.39 31.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 p -124.24 157.31 64.83 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-O 121.61 0.719 . . . . 0.0 111.107 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -48.0 -64.51 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.686 2.257 . . . . 0.0 112.305 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 94.7 m -46.05 -32.87 3.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.409 ' HG ' ' CD ' ' A' ' 75' ' ' GLU . 5.5 tt -65.67 -48.56 71.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.9 mt -62.74 -31.45 72.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.7 mtm180 -55.67 -43.8 76.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -90.33 -3.37 72.38 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.511 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.59 -37.05 11.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.82 0.343 . . . . 0.0 111.089 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.555 ' CZ ' HG23 ' A' ' 20' ' ' VAL . 41.9 m-85 -94.36 -17.93 22.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.586 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -58.88 -46.0 99.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.68 0.753 . . . . 0.0 110.866 -179.792 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 35' ' ' SER . 64.4 Cg_exo -47.97 -38.02 30.65 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.681 2.254 . . . . 0.0 112.355 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -74.84 -37.74 62.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -176.85 -161.87 26.38 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.505 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -93.53 131.48 38.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.81 0.338 . . . . 0.0 110.852 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 45.9 mt -92.95 115.14 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.142 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.9 pt -99.45 -19.3 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.095 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -146.95 109.78 4.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.0 tp -132.42 106.21 7.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 29.7 t -117.33 143.74 45.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.416 ' SD ' ' CB ' ' A' ' 52' ' ' ALA . 20.9 mmm -126.84 127.42 44.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.531 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 28.8 m-20 -120.51 95.59 49.0 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.625 0.726 . . . . 0.0 110.865 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.579 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 63.8 Cg_exo -47.95 -43.31 30.28 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.668 2.245 . . . . 0.0 112.395 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.4 Cg_exo -47.98 -60.79 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.62 2.214 . . . . 0.0 112.378 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -85.3 4.76 33.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 44.91 53.77 7.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 29.2 p -148.41 175.96 10.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.416 ' CB ' ' SD ' ' A' ' 45' ' ' MET . . . -153.75 165.79 34.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.079 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -128.47 103.68 7.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 44.9 t -102.72 114.78 43.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.2 m -101.28 144.18 30.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.158 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.479 ' CE2' HD11 ' A' ' 18' ' ' LEU . 15.1 m-85 -110.55 144.14 39.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.936 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -59.55 -18.06 37.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.868 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt -134.45 156.36 48.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.478 ' SD ' ' N ' ' A' ' 60' ' ' GLU . 4.2 ppp? -71.22 -46.36 61.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.88 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.478 ' N ' ' SD ' ' A' ' 59' ' ' MET . 16.8 pt-20 -37.99 -44.51 0.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.461 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 63.0 m -63.48 -51.23 66.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.461 ' CB ' HD21 ' A' ' 18' ' ' LEU . . . -39.38 -59.44 1.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.081 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -62.63 -45.17 94.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -51.65 -64.62 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -47.28 -59.43 3.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.431 HG21 ' CD1' ' A' ' 83' ' ' ILE . 10.8 t -53.22 -18.03 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.08 -36.94 15.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -97.98 -58.92 1.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.553 ' CD1' ' CE2' ' A' ' 34' ' ' PHE . 8.3 mt -51.89 -36.76 49.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 69' ' ' LEU . 0.5 OUTLIER -37.29 114.83 0.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 51.22 39.88 43.62 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.467 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 69' ' ' LEU . 8.0 t -90.39 157.99 17.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.759 0.314 . . . . 0.0 111.142 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -114.13 95.37 5.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 1.9 m -116.99 139.49 43.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.409 ' CD ' ' HG ' ' A' ' 29' ' ' LEU . 20.2 mt-10 54.14 29.91 11.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.4 p 69.24 31.59 3.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 77.1 t -138.3 128.4 34.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.13 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -81.47 109.44 15.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.1 mt -98.33 139.2 34.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.943 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 31.0 mttp -119.44 104.81 10.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.875 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 19.4 t -104.1 145.68 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.139 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.418 ' CA ' HG22 ' A' ' 66' ' ' VAL . 30.1 t30 -152.55 151.84 31.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.431 ' CD1' HG21 ' A' ' 66' ' ' VAL . 10.4 mm -70.52 95.4 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.133 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 83' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.085 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.927 0.394 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.1 m -86.21 156.18 20.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.12 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.458 ' CD2' ' HA ' ' A' ' 62' ' ' ALA . 14.7 mt -134.87 128.58 32.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -84.4 111.61 19.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 16.0 t -108.35 147.5 13.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.096 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -140.8 123.18 15.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.923 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -137.93 -174.86 13.57 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.508 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -126.3 -60.52 1.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.35 . . . . 0.0 110.909 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -110.17 47.47 0.96 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.84 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.43 155.5 29.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.6 p -126.43 153.9 74.98 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.614 0.721 . . . . 0.0 111.112 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.429 ' N ' ' HE2' ' A' ' 45' ' ' MET . 65.1 Cg_exo -47.97 -59.77 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.687 2.258 . . . . 0.0 112.365 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 54.2 m -45.92 -35.14 4.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.136 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.1 tt -66.76 -49.53 65.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.1 mt -58.25 -31.12 67.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -58.84 -41.32 86.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.82 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -90.67 -9.65 64.2 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.504 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.12 -31.92 14.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.851 0.358 . . . . 0.0 111.096 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.489 ' CZ ' HD13 ' A' ' 69' ' ' LEU . 27.7 m-85 -96.43 -23.39 16.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.587 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -55.53 -46.0 99.78 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.665 0.745 . . . . 0.0 110.86 -179.796 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 35' ' ' SER . 63.7 Cg_exo -47.94 -37.62 29.69 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.67 2.247 . . . . 0.0 112.372 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -75.84 -37.48 58.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -176.35 -162.91 27.96 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -94.37 124.78 38.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.776 0.322 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 43.3 mt -84.56 114.76 25.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.9 pt -101.56 -21.23 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -145.0 106.23 4.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.4 tp -128.1 109.86 11.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 m -118.08 136.45 53.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.827 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.429 ' HE2' ' N ' ' A' ' 27' ' ' PRO . 1.4 mmt -124.03 131.89 53.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.531 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 1.4 m-20 -125.04 95.59 41.6 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.576 0.703 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.586 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 65.7 Cg_exo -47.96 -43.34 30.27 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.663 2.242 . . . . 0.0 112.361 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.0 Cg_exo -47.95 -63.74 0.29 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.702 2.268 . . . . 0.0 112.352 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 -81.68 6.26 15.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 44.05 48.35 7.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 24.3 p -145.88 173.81 11.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -153.68 167.9 28.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.09 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -134.81 101.82 5.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 71.5 t -96.09 130.42 44.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.101 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.428 HG21 ' N ' ' A' ' 56' ' ' TYR . 90.0 m -110.24 139.5 45.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.172 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.561 ' CD2' ' HB3' ' A' ' 61' ' ' SER . 15.6 m-85 -108.96 141.75 40.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -58.25 -32.3 68.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.4 mtpt -125.22 121.42 34.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.95 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.471 ' HG2' ' N ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -44.03 -36.7 2.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 179.887 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.471 ' N ' ' HG2' ' A' ' 59' ' ' MET . 6.7 mt-10 -39.14 -32.66 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.561 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 36.2 m -78.38 -47.25 18.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.458 ' HA ' ' CD2' ' A' ' 18' ' ' LEU . . . -36.0 -57.0 0.71 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -65.42 -45.5 83.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -54.02 -66.38 0.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -47.15 -58.64 3.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.5 t -53.88 -20.21 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.169 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.69 -38.19 18.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.084 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -97.88 -58.46 1.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.489 HD13 ' CZ ' ' A' ' 34' ' ' PHE . 9.3 mt -52.75 -21.02 3.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -61.69 118.15 6.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 60.53 21.83 58.21 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.501 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.7 t -84.67 157.5 21.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.696 0.284 . . . . 0.0 111.16 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -119.75 97.39 5.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.4 m -112.05 143.73 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 53.44 26.74 5.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.8 t 72.89 30.51 1.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.5 t -138.2 127.55 33.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.111 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -81.16 105.97 12.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 29.0 mt -95.73 137.83 34.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -115.83 108.8 16.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 5.3 t -110.54 144.08 19.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -149.28 155.69 40.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.846 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 13.3 mm -70.7 95.91 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.117 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.795 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.6 p-10 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.87 0.367 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.4 m -85.4 155.34 21.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.527 HD13 ' CD2' ' A' ' 56' ' ' TYR . 12.4 mt -135.84 128.05 30.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -83.88 107.54 16.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.948 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.556 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 37.0 t -106.96 143.24 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.129 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.492 ' C ' ' CD1' ' A' ' 21' ' ' TYR . 0.3 OUTLIER -139.01 135.01 33.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.876 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -147.71 -162.82 10.29 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.469 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -135.04 -45.8 0.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.865 0.364 . . . . 0.0 110.841 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -122.82 45.86 2.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -117.88 139.65 50.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.7 p -112.63 155.61 43.64 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.543 0.687 . . . . 0.0 111.127 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo -48.0 -49.81 13.15 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.675 2.25 . . . . 0.0 112.296 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 87.0 m -58.53 -30.24 66.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.433 ' CG ' ' HG3' ' A' ' 75' ' ' GLU . 6.3 tt -68.4 -52.43 33.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.466 ' CD1' ' HE1' ' A' ' 45' ' ' MET . 13.3 mt -57.22 -28.93 63.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.937 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.437 ' HA ' ' CD1' ' A' ' 40' ' ' ILE . 48.6 mtt-85 -61.98 -39.01 90.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -93.05 -12.1 58.02 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.05 -31.7 14.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.797 0.332 . . . . 0.0 111.088 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.569 ' CE2' HD12 ' A' ' 69' ' ' LEU . 17.3 m-85 -95.19 -17.43 21.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.819 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.594 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -59.42 -45.69 98.93 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.713 0.768 . . . . 0.0 110.873 -179.81 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 35' ' ' SER . 64.5 Cg_exo -47.99 -34.93 24.08 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.692 2.261 . . . . 0.0 112.374 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -77.14 -36.02 55.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -178.99 -148.22 7.56 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -104.98 138.41 41.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.755 0.312 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.437 ' CD1' ' HA ' ' A' ' 31' ' ' ARG . 60.1 mt -99.98 113.24 34.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 12.8 pt -99.83 -33.16 3.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -134.6 106.48 7.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 tp -129.67 109.94 11.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.3 p -120.23 141.87 49.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.466 ' HE1' ' CD1' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -120.77 140.06 52.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.535 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 6.6 t70 -126.0 95.67 38.97 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.589 0.709 . . . . 0.0 110.851 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.598 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 65.0 Cg_exo -48.03 -43.28 30.79 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.669 2.246 . . . . 0.0 112.365 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.6 Cg_exo -47.97 -62.24 0.47 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.699 2.266 . . . . 0.0 112.312 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -91.9 12.23 22.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.5 m120 41.64 38.36 0.91 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.1 p -120.99 177.94 4.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -159.86 156.55 27.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.094 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -121.75 99.43 6.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.855 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 96.1 t -96.04 130.08 45.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.083 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 39.8 m -113.39 131.23 56.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.133 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.527 ' CD2' HD13 ' A' ' 18' ' ' LEU . 27.9 m-85 -99.84 141.4 32.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -55.65 -25.38 38.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 33.2 mttm -121.04 162.14 20.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.7 ptm -81.18 -30.64 34.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.458 ' HG3' ' N ' ' A' ' 61' ' ' SER . 14.2 pt-20 -55.34 -43.04 74.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.458 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 56.3 m -58.61 -43.52 89.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -45.09 -60.07 2.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.042 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -64.41 -39.91 94.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.821 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -55.34 -66.73 0.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -47.39 -56.14 7.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.45 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 6.7 t -52.33 -17.13 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -91.49 -38.21 12.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.111 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -98.13 -58.46 1.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.569 HD12 ' CE2' ' A' ' 34' ' ' PHE . 9.3 mt -57.63 -12.59 2.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.45 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -72.4 111.8 7.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 179.897 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 71.7 13.33 74.86 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.498 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.3 t -82.17 154.96 25.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.745 0.307 . . . . 0.0 111.148 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -118.93 95.12 4.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.4 m -107.49 143.56 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.433 ' HG3' ' CG ' ' A' ' 29' ' ' LEU . 5.9 mm-40 56.27 25.04 8.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.5 t 74.16 29.36 1.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.403 ' CG1' HD22 ' A' ' 79' ' ' LEU . 89.3 t -138.43 119.88 17.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.085 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -76.38 103.52 6.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.403 HD22 ' CG1' ' A' ' 77' ' ' VAL . 26.6 mt -89.36 147.55 24.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 19.3 ttpt -121.84 103.96 9.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.7 t -100.54 144.52 12.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -150.15 150.15 31.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.402 ' CD1' HG21 ' A' ' 66' ' ' VAL . 9.6 mm -70.9 94.75 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.814 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.932 0.396 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.0 m -87.22 154.19 20.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.173 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.539 HD12 ' CE2' ' A' ' 56' ' ' TYR . 9.7 mt -136.27 126.44 26.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -82.92 106.45 14.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.405 HG23 ' CZ ' ' A' ' 34' ' ' PHE . 22.3 t -105.37 143.93 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.11 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.401 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 7.9 t80 -138.11 119.79 15.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -132.94 -175.68 14.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.55 ' CD ' ' N ' ' A' ' 23' ' ' GLU . 3.2 mp0 -117.56 -69.94 0.82 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 110.891 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -105.71 50.5 0.78 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.78 151.55 36.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 p -124.46 158.4 61.74 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.606 0.717 . . . . 0.0 111.125 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -47.98 -62.71 0.4 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.667 2.244 . . . . 0.0 112.371 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 74.5 m -42.02 -37.91 1.49 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.146 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.6 tt -65.67 -51.29 60.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.7 mt -56.71 -31.61 64.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 52.2 mtt180 -59.38 -42.51 91.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -91.65 -9.22 63.07 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.481 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.32 -33.78 14.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.784 0.326 . . . . 0.0 111.096 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.619 ' CE2' ' CD1' ' A' ' 69' ' ' LEU . 45.8 m-85 -95.83 -19.6 19.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.58 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -62.03 -46.01 91.64 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.632 0.729 . . . . 0.0 110.831 -179.759 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.58 ' CD ' ' N ' ' A' ' 35' ' ' SER . 65.1 Cg_exo -47.98 -17.71 0.91 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.695 2.263 . . . . 0.0 112.366 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -93.43 -33.47 13.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -177.3 -130.31 1.36 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.46 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -123.6 133.33 53.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.802 0.334 . . . . 0.0 110.935 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 57.6 mt -95.02 110.78 24.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.5 pt -98.11 -18.51 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -148.93 106.9 3.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.3 tp -128.06 106.56 9.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.2 m -117.33 138.0 52.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.7 mmm -121.29 123.08 41.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.526 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 36.7 m-20 -114.04 95.62 38.92 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.586 0.707 . . . . 0.0 110.857 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.586 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 64.8 Cg_exo -47.99 -43.31 30.52 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.694 2.263 . . . . 0.0 112.357 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.5 Cg_exo -47.98 -44.97 26.38 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.344 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 50' ' ' ASN . 37.5 mmt180 -104.52 13.89 30.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 49' ' ' ARG . 24.1 m-80 37.29 41.44 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 29.7 p -134.65 174.23 10.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -152.63 161.24 42.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.138 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -124.77 102.2 7.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.8 t -98.93 117.08 43.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 40.1 m -100.21 132.39 45.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.539 ' CE2' HD12 ' A' ' 18' ' ' LEU . 15.9 m-85 -99.73 146.51 26.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -59.9 -24.31 64.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.7 mtmm -130.21 156.66 44.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.502 ' SD ' ' N ' ' A' ' 60' ' ' GLU . 4.0 ppp? -67.2 -49.15 65.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.898 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.502 ' N ' ' SD ' ' A' ' 59' ' ' MET . 19.7 pt-20 -35.91 -51.8 0.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.494 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 69.5 m -52.33 -52.25 54.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.462 ' CB ' HD21 ' A' ' 18' ' ' LEU . . . -41.14 -64.5 0.54 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.09 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.19 -45.98 79.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -51.96 -64.64 0.75 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -47.79 -57.55 5.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.118 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.467 HG23 ' CD1' ' A' ' 83' ' ' ILE . 9.2 t -54.81 -16.81 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -91.04 -36.31 14.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -97.94 -58.17 2.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.938 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.619 ' CD1' ' CE2' ' A' ' 34' ' ' PHE . 8.7 mt -54.69 -27.41 40.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -51.69 113.81 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 58.68 33.41 72.41 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.482 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.5 t -91.31 161.58 14.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.746 0.308 . . . . 0.0 111.149 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -120.67 95.76 4.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.933 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.8 m -116.99 141.0 37.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 54.57 33.37 18.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m 63.97 29.71 14.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 86.4 t -138.0 125.52 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.135 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -78.3 116.09 18.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 52.8 mt -105.72 141.2 37.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -122.5 108.65 13.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.1 t -108.64 139.06 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -145.93 143.34 29.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.467 ' CD1' HG23 ' A' ' 66' ' ' VAL . 8.3 mm -70.44 98.45 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.793 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.8 p-10 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.927 0.394 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.8 m -87.29 155.26 20.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.461 HD11 ' CE2' ' A' ' 56' ' ' TYR . 9.3 mt -136.27 128.62 30.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -80.65 105.2 11.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.547 HG23 ' CZ ' ' A' ' 34' ' ' PHE . 48.0 t -103.38 137.37 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.121 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 0.6 OUTLIER -142.94 116.24 9.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.898 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -127.07 -145.88 6.34 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -133.66 -72.95 0.49 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.865 0.364 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -103.85 49.61 0.82 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.93 145.92 36.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.7 p -119.96 155.49 55.26 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.577 0.703 . . . . 0.0 111.16 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -47.97 -45.55 24.58 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.695 2.263 . . . . 0.0 112.317 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.7 m -64.63 -29.9 70.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.0 tt -70.79 -50.45 35.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.418 ' CD1' ' HE1' ' A' ' 45' ' ' MET . 13.2 mt -56.13 -31.51 63.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.405 ' HA ' ' CD1' ' A' ' 40' ' ' ILE . 67.4 mtt-85 -62.9 -37.78 88.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -90.6 -11.72 61.85 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.462 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.67 -30.86 13.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.784 0.326 . . . . 0.0 111.077 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.566 ' CE2' HD11 ' A' ' 69' ' ' LEU . 29.0 m-85 -95.5 -13.69 24.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.588 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -64.09 -45.98 79.95 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.652 0.739 . . . . 0.0 110.835 -179.782 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 35' ' ' SER . 64.4 Cg_exo -47.94 -24.62 5.37 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.689 2.259 . . . . 0.0 112.361 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.479 ' CE2' ' HG ' ' A' ' 69' ' ' LEU . 86.9 m-85 -87.28 -37.57 17.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -179.67 -147.45 7.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.458 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -104.76 141.16 36.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 110.875 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.405 ' CD1' ' HA ' ' A' ' 31' ' ' ARG . 60.8 mt -102.93 115.22 44.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.6 pt -102.03 -24.71 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.151 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -140.99 106.08 4.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.5 tp -130.6 109.28 10.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.2 m -119.89 148.02 44.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.418 ' HE1' ' CD1' ' A' ' 30' ' ' LEU . 0.3 OUTLIER -126.11 138.74 53.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.535 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 0.6 OUTLIER -123.83 95.57 44.22 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.662 0.744 . . . . 0.0 110.834 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.592 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 65.1 Cg_exo -47.97 -43.42 30.14 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.667 2.245 . . . . 0.0 112.313 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.592 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 66.6 Cg_exo -47.95 -53.14 7.06 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.74 2.293 . . . . 0.0 112.312 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -100.95 11.57 39.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.939 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.7 m120 41.66 36.4 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 18.2 p -117.53 -177.26 3.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -161.94 162.64 29.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.092 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -130.86 99.45 4.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.5 t -95.45 127.97 47.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.089 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 93.8 m -108.53 139.88 42.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.509 ' CD2' ' HB3' ' A' ' 61' ' ' SER . 14.0 m-85 -108.57 142.2 39.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -62.85 -22.78 66.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 59' ' ' MET . 49.6 mttt -131.64 109.74 10.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.446 ' HG2' ' N ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -35.18 -37.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.446 ' N ' ' HG2' ' A' ' 59' ' ' MET . 14.4 mt-10 -37.02 -46.53 0.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.509 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 56.6 m -64.6 -46.07 84.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.437 ' HA ' ' CD2' ' A' ' 18' ' ' LEU . . . -35.58 -59.19 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.091 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.5 -45.06 88.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.871 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -54.58 -67.13 0.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -46.06 -58.17 3.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.441 ' CB ' HD13 ' A' ' 83' ' ' ILE . 9.4 t -54.18 -18.27 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.116 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.3 -36.72 15.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.065 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -98.01 -58.35 2.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.566 HD11 ' CE2' ' A' ' 34' ' ' PHE . 12.3 mt -55.43 -17.9 5.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.406 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -65.44 116.73 7.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 179.915 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 65.93 17.38 65.27 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.453 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.3 t -84.89 152.31 23.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.696 0.284 . . . . 0.0 111.181 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -115.74 96.33 5.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.4 m -110.22 142.62 22.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.139 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 56.1 28.76 13.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.3 m 70.33 25.6 4.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 92.1 t -135.94 121.29 28.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -77.89 111.78 14.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 24.0 mt -98.6 146.47 25.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.958 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -119.2 104.87 10.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.407 ' CG2' ' HB3' ' A' ' 69' ' ' LEU . 4.2 t -101.86 136.69 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -140.99 156.23 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.441 HD13 ' CB ' ' A' ' 66' ' ' VAL . 11.7 mm -75.47 95.23 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.146 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.118 179.815 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.2 m120 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.909 0.385 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.7 m -84.44 150.48 25.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.464 HD11 ' CE2' ' A' ' 56' ' ' TYR . 10.3 mt -134.34 125.51 27.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.953 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -81.11 106.16 12.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.4 t -102.0 151.36 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.126 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.475 ' CD1' ' N ' ' A' ' 22' ' ' GLY . 11.0 t80 -133.33 148.05 51.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.475 ' N ' ' CD1' ' A' ' 21' ' ' TYR . . . -169.45 179.72 41.82 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.483 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -133.93 -44.97 0.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.883 0.373 . . . . 0.0 110.899 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -112.99 39.75 2.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.822 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.403 ' CG ' ' HA3' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -117.98 151.21 37.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.419 ' C ' ' HE2' ' A' ' 45' ' ' MET . 1.4 p -124.16 159.62 56.08 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.636 0.731 . . . . 0.0 111.116 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.418 ' N ' ' HE2' ' A' ' 45' ' ' MET . 64.9 Cg_exo -47.95 -65.22 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.665 2.243 . . . . 0.0 112.371 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 95.8 m -48.61 -30.08 4.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.7 tt -66.05 -48.69 70.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.7 mt -63.77 -31.41 72.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.469 ' HA ' ' CD1' ' A' ' 40' ' ' ILE . 50.7 mtt180 -56.82 -50.79 71.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.836 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.76 -7.24 88.66 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.462 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -97.8 -27.76 14.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.809 0.338 . . . . 0.0 111.089 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.434 ' CZ ' ' CD1' ' A' ' 69' ' ' LEU . 19.1 m-85 -96.91 -15.98 20.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.642 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 7.2 t -61.22 -42.15 84.13 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.687 0.756 . . . . 0.0 110.855 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 35' ' ' SER . 65.3 Cg_exo -48.0 -42.1 32.3 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.647 2.231 . . . . 0.0 112.326 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.535 ' CE2' ' HA ' ' A' ' 65' ' ' ALA . 92.4 m-85 -73.62 -39.42 64.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -178.16 -149.8 8.27 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.541 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -102.03 138.97 38.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.827 0.346 . . . . 0.0 110.887 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.469 ' CD1' ' HA ' ' A' ' 31' ' ' ARG . 54.7 mt -97.86 116.65 41.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.105 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.4 pt -102.13 -27.39 3.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.082 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -138.63 111.09 7.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.1 tp -135.46 106.5 6.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.2 t -119.5 141.21 49.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.419 ' HE2' ' C ' ' A' ' 26' ' ' THR . 0.4 OUTLIER -115.64 140.6 49.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.533 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 0.6 OUTLIER -117.33 95.27 47.1 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.611 0.72 . . . . 0.0 110.852 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.586 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 65.9 Cg_exo -47.99 -43.25 30.63 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.688 2.259 . . . . 0.0 112.294 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 63.7 Cg_exo -47.91 -62.89 0.37 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.357 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -95.45 13.32 26.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 42.65 41.93 2.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 56.9 m -112.8 -177.3 3.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -157.59 156.55 32.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.081 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -129.84 99.66 5.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 39.0 t -98.5 135.44 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.088 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.1 m -119.14 136.85 53.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.464 ' CE2' HD11 ' A' ' 18' ' ' LEU . 23.8 m-85 -104.33 140.76 37.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.936 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -55.32 -34.9 64.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 59' ' ' MET . 21.5 mmtp -120.39 114.16 21.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.442 ' O ' ' C ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -36.52 -37.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.848 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 59' ' ' MET . 9.5 mt-10 -34.81 -56.06 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 62' ' ' ALA . 53.5 m -56.81 -46.15 81.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.858 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 61' ' ' SER . . . -34.36 -60.4 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.096 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -63.99 -44.86 91.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -54.76 -67.17 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.535 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -47.25 -59.38 3.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.077 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.7 t -50.21 -21.3 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.137 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.23 -31.0 18.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -98.1 -59.2 1.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.434 ' CD1' ' CZ ' ' A' ' 34' ' ' PHE . 7.8 mt -55.92 -18.88 10.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -61.44 112.26 2.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.843 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 62.0 29.51 72.81 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.449 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.0 t -90.33 160.62 16.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.739 0.304 . . . . 0.0 111.146 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -120.34 96.63 5.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.6 m -116.04 138.66 45.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.129 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 56.78 26.51 11.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.6 t 70.49 29.5 3.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.3 t -137.7 115.53 13.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.099 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -70.32 112.67 6.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.0 mt -102.12 140.0 36.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.961 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.51 111.58 16.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.4 t -110.77 147.25 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.091 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -146.5 151.12 36.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.414 ' O ' ' C ' ' A' ' 84' ' ' ALA . 19.4 mm -70.02 94.57 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 83' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.086 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.1 p -41.94 116.89 0.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 0.0 110.801 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.6 m -56.11 -53.89 51.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.3 -165.07 10.63 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.523 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.1 t -60.67 144.5 51.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.851 0.358 . . . . 0.0 110.842 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.1 m -78.73 91.08 4.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.86 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.94 -154.61 19.21 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.477 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -126.33 172.65 9.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.809 0.338 . . . . 0.0 110.926 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 -78.5 100.48 6.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.48 144.13 37.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -161.58 148.3 11.4 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.534 0.683 . . . . 0.0 111.121 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -177.9 2.08 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.744 2.296 . . . . 0.0 112.345 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -135.3 111.26 9.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.1 pttp -171.47 141.52 1.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 137.34 155.22 6.87 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.465 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -110.47 -48.41 3.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.947 0.403 . . . . 0.0 110.926 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.4 m -84.81 156.12 21.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.162 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.421 ' CD1' ' CE2' ' A' ' 56' ' ' TYR . 6.7 mt -136.81 129.95 31.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -84.79 110.21 18.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.451 HG22 ' CZ ' ' A' ' 34' ' ' PHE . 36.8 t -109.09 144.82 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -136.79 131.1 32.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.436 ' HA3' ' CG ' ' A' ' 25' ' ' MET . . . -142.74 -171.13 13.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.508 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -131.02 -49.33 1.02 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.814 0.34 . . . . 0.0 110.836 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -120.6 40.7 3.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.436 ' CG ' ' HA3' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -110.01 148.76 31.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.8 p -119.52 155.01 54.65 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.569 0.699 . . . . 0.0 111.178 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -47.92 -56.4 3.13 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.707 2.271 . . . . 0.0 112.327 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.7 m -52.55 -29.52 25.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.4 tt -69.07 -50.75 45.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.9 mt -59.35 -29.35 67.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.4 mtp180 -57.26 -47.65 80.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -87.46 -7.09 76.55 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.451 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.29 -34.19 14.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.852 0.358 . . . . 0.0 111.097 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.46 ' CE2' HD13 ' A' ' 69' ' ' LEU . 29.9 m-85 -96.61 -20.03 18.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.852 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.583 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -58.89 -45.99 99.57 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.67 0.748 . . . . 0.0 110.861 -179.766 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.583 ' CD ' ' N ' ' A' ' 35' ' ' SER . 66.8 Cg_exo -48.08 -32.74 19.28 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.673 2.249 . . . . 0.0 112.31 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.524 ' CE1' ' HG ' ' A' ' 69' ' ' LEU . 87.7 m-85 -79.25 -38.65 35.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.07 -150.88 7.89 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.518 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -104.01 129.72 51.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.82 0.343 . . . . 0.0 110.87 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 58.7 mt -90.98 114.19 27.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.157 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 12.6 pt -101.11 -22.47 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -143.56 106.37 4.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.6 tp -130.27 111.54 12.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 m -126.44 144.9 50.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.2 mmt -121.13 141.57 50.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.537 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 47.4 m-20 -125.06 95.6 41.54 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.593 0.711 . . . . 0.0 110.845 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.588 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 64.2 Cg_exo -47.96 -43.38 30.19 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.696 2.264 . . . . 0.0 112.348 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 63.8 Cg_exo -47.91 -64.38 0.24 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.715 2.276 . . . . 0.0 112.369 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -87.78 1.19 54.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.6 m120 50.35 51.08 17.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 9.0 p -128.24 174.75 9.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -151.73 135.95 16.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.079 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -108.0 102.8 11.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.0 t -103.54 121.85 55.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 60.7 m -105.3 136.87 44.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.168 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.421 ' CE2' ' CD1' ' A' ' 18' ' ' LEU . 16.2 m-85 -103.01 144.16 31.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.917 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -57.4 -22.48 43.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm -128.3 162.61 26.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 13.7 ptp -83.3 -26.09 30.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.903 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -57.56 -36.72 72.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.414 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 32.9 m -70.36 -43.82 69.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.833 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -40.98 -54.45 2.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.086 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -67.24 -39.42 86.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -54.87 -66.49 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -47.42 -54.33 11.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.075 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.44 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 12.1 t -55.06 -18.78 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.105 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.29 -39.25 12.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -97.81 -58.94 1.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.524 ' HG ' ' CE1' ' A' ' 37' ' ' PHE . 10.0 mt -55.73 -14.9 2.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.44 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 1.2 t30 -70.47 114.67 8.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 66.97 19.94 70.27 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.489 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.7 t -87.33 147.66 25.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.707 0.289 . . . . 0.0 111.176 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -107.38 95.07 5.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.4 m -109.4 140.5 27.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 54.79 36.46 26.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 66.4 m 62.73 27.69 16.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.842 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 23.0 t -138.01 123.72 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.138 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -75.54 113.09 12.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 15.0 mt -100.33 132.31 45.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -111.4 104.32 12.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.422 HG12 ' N ' ' A' ' 82' ' ' ASN . 15.9 t -102.81 147.13 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.422 ' N ' HG12 ' A' ' 81' ' ' VAL . 3.2 t-20 -150.77 159.08 44.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.432 HD12 ' CB ' ' A' ' 66' ' ' VAL . 12.9 mm -76.88 95.08 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.082 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -37.82 140.22 0.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -96.44 144.86 26.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 36.4 tttm 73.18 46.5 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -116.61 78.91 9.09 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.584 0.707 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 179.03 4.03 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.692 2.262 . . . . 0.0 112.326 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.1 ptm -55.28 112.15 1.03 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.9 tt -115.61 143.78 44.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -50.46 148.89 3.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.7 t -102.58 -36.8 8.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -116.99 81.23 0.31 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.523 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.67 119.9 6.78 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.717 2.278 . . . . 0.0 112.332 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.9 t -92.1 -51.44 5.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 83.5 p -83.69 39.8 0.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.527 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m 47.81 43.93 17.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.847 0.356 . . . . 0.0 110.817 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.7 p -101.26 43.06 1.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.09 -172.4 13.21 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.487 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.9 p -106.22 127.35 53.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.832 0.349 . . . . 0.0 110.889 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 t -110.96 42.71 1.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.91 164.84 26.82 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 58.97 42.6 19.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 0.0 110.888 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 52.4 mmm-85 -50.02 -51.83 39.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -63.83 162.91 12.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -112.77 142.17 26.72 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.565 0.698 . . . . 0.0 111.136 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 0.49 5.59 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.631 2.221 . . . . 0.0 112.366 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.461 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -58.05 152.14 17.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.461 ' N ' ' HD3' ' A' ' 13' ' ' ARG . 32.7 mttt -33.79 -68.94 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 69.31 101.54 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.463 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.473 ' OD1' ' N ' ' A' ' 16' ' ' ASN . 1.1 p-10 -116.71 -34.77 4.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.924 0.392 . . . . 0.0 110.922 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.5 m -86.82 156.12 20.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.133 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.517 HD11 ' CE2' ' A' ' 56' ' ' TYR . 8.4 mt -134.78 128.71 33.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -84.24 110.3 18.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.95 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.429 HG22 ' CZ ' ' A' ' 34' ' ' PHE . 22.4 t -107.7 146.1 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.153 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -134.26 134.21 41.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.4 ' HA3' ' CG ' ' A' ' 25' ' ' MET . . . -148.15 -175.14 20.55 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.5 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -132.81 -45.37 0.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.838 0.351 . . . . 0.0 110.91 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -122.17 42.4 3.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.4 ' CG ' ' HA3' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -113.63 154.35 27.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.407 ' C ' ' HE3' ' A' ' 45' ' ' MET . 4.9 p -125.84 155.45 72.81 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.553 0.692 . . . . 0.0 111.16 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.423 ' N ' ' HE3' ' A' ' 45' ' ' MET . 64.7 Cg_exo -47.95 -63.93 0.28 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.708 2.272 . . . . 0.0 112.357 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.2 m -46.27 -30.96 2.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.9 tt -68.7 -48.11 64.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.946 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.8 mt -61.82 -30.01 70.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.7 mtp85 -58.05 -44.06 87.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -90.15 -4.52 71.48 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.462 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -97.32 -32.14 12.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.846 0.355 . . . . 0.0 111.076 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.519 ' CE2' ' CD1' ' A' ' 69' ' ' LEU . 36.2 m-85 -96.57 -23.29 16.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.873 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.579 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -56.88 -46.05 99.9 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.687 0.756 . . . . 0.0 110.826 -179.797 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 35' ' ' SER . 65.2 Cg_exo -47.92 -21.84 2.93 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.725 2.283 . . . . 0.0 112.349 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -92.73 -38.13 11.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.24 -152.91 9.11 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.48 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -104.24 127.55 51.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.819 0.342 . . . . 0.0 110.898 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 46.6 mt -89.02 112.07 23.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.1 pt -97.19 -22.87 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.13 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -144.92 107.98 4.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.8 tp -128.43 111.13 12.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 59.1 p -123.23 137.46 54.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.852 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.423 ' HE3' ' N ' ' A' ' 27' ' ' PRO . 1.9 mmm -118.91 134.04 55.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.533 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 4.0 m-20 -118.0 95.58 48.4 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.579 0.704 . . . . 0.0 110.879 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.594 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 66.0 Cg_exo -47.98 -43.36 30.34 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.688 2.259 . . . . 0.0 112.364 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.4 Cg_exo -47.96 -63.77 0.29 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.704 2.269 . . . . 0.0 112.402 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.2 mmp_? -86.51 -1.99 58.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.6 m120 55.54 36.89 28.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.3 p -112.72 179.17 4.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -160.35 134.61 7.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.044 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -108.65 106.09 16.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.6 t -105.58 122.27 58.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.116 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 34.8 m -105.69 132.71 51.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.517 ' CE2' HD11 ' A' ' 18' ' ' LEU . 12.5 m-85 -99.37 147.0 25.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -58.58 -23.97 59.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.0 mmtt -128.56 168.8 15.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.9 ptm -81.6 -44.82 16.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.883 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -39.47 -47.16 1.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.41 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 37.9 m -57.17 -50.04 74.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.458 ' HA ' ' CD2' ' A' ' 18' ' ' LEU . . . -38.72 -60.86 0.78 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.14 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.36 -42.51 98.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -53.52 -66.04 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -49.23 -62.02 1.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.9 t -48.83 -20.92 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.42 -35.0 21.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.105 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -98.08 -57.63 2.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.519 ' CD1' ' CE2' ' A' ' 34' ' ' PHE . 10.1 mt -54.66 -16.61 2.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -63.93 112.69 3.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 64.6 17.54 62.53 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.45 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.3 t -80.99 150.19 29.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.733 0.301 . . . . 0.0 111.138 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -111.82 97.28 6.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.3 m -114.61 141.69 30.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 55.17 31.07 15.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.3 m 67.03 26.94 8.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.824 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 19.8 t -136.31 123.86 33.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.152 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -75.99 110.42 10.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.3 mt -98.6 137.06 37.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.3 mtmt -118.78 109.51 16.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 5.0 t -106.3 149.22 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -152.82 146.18 24.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 7.2 mm -69.79 100.45 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -44.86 113.76 0.61 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -77.12 149.49 35.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.0 mttp 57.47 48.87 13.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -107.54 82.08 1.23 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.611 0.719 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 178.03 4.96 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.72 2.28 . . . . 0.0 112.368 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 23.6 mtt -46.6 101.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.8 tt -73.42 -51.4 17.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -75.83 120.73 21.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.814 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 85.5 p -165.59 168.65 16.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 172.59 153.75 9.65 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -38.18 8.11 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.75 2.3 . . . . 0.0 112.342 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.2 t -111.39 124.06 51.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 61.8 m -93.88 117.84 30.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.914 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.481 -179.923 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.456 -0.257 . . . . 0.0 112.456 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 1' ' ' GLY . 58.7 m -36.15 117.37 0.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.878 0.37 . . . . 0.0 110.85 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -149.98 172.03 15.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.826 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.68 134.76 11.81 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.522 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.9 p -146.08 163.81 34.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.872 0.367 . . . . 0.0 110.88 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.0 p -131.38 164.59 25.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.854 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.8 -77.96 0.31 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.45 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -72.2 120.06 17.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.882 0.372 . . . . 0.0 110.862 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -96.14 82.12 3.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.64 160.82 29.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.79 151.26 8.5 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.547 0.689 . . . . 0.0 111.145 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 143.25 50.09 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.694 2.262 . . . . 0.0 112.314 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -44.69 166.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -56.5 137.72 52.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -150.8 108.65 0.39 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.468 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -110.23 -50.59 2.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.896 0.379 . . . . 0.0 110.894 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.4 m -84.59 153.54 23.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.152 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.477 HD11 ' CE2' ' A' ' 56' ' ' TYR . 4.9 mt -134.9 134.22 40.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -85.04 109.49 18.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.409 HG23 ' CZ ' ' A' ' 34' ' ' PHE . 18.5 t -105.51 146.56 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.114 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -139.19 130.23 26.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.932 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.435 ' HA3' ' CG ' ' A' ' 25' ' ' MET . . . -143.27 -177.46 18.25 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.496 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -125.2 -51.59 1.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.842 0.353 . . . . 0.0 110.884 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -117.96 45.25 2.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.435 ' CG ' ' HA3' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -115.36 160.09 20.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.7 p -130.48 155.74 80.64 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.603 0.716 . . . . 0.0 111.173 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_exo -47.87 -59.19 1.34 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.386 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 99.5 m -49.18 -33.59 12.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.3 tt -66.02 -47.56 74.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.939 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.7 mt -61.82 -28.75 69.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -60.31 -44.01 95.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -90.29 -9.85 64.7 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.505 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.36 -33.86 15.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.805 0.336 . . . . 0.0 111.115 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.471 ' CE2' ' CD1' ' A' ' 69' ' ' LEU . 35.3 m-85 -95.4 -17.8 21.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.575 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -62.88 -46.16 87.58 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.687 0.756 . . . . 0.0 110.839 -179.797 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' ' 35' ' ' SER . 65.4 Cg_exo -48.02 -19.8 1.78 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.673 2.249 . . . . 0.0 112.316 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -89.82 -38.82 13.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -172.98 -127.77 1.0 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.491 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -125.02 136.01 53.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.799 0.333 . . . . 0.0 110.893 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.413 ' CG2' ' HB2' ' A' ' 43' ' ' LEU . 37.4 mt -98.58 104.92 16.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.102 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.1 pt -91.73 -18.57 7.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -150.49 107.78 3.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.825 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.413 ' HB2' ' CG2' ' A' ' 40' ' ' ILE . 10.8 tp -130.38 112.98 13.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.2 m -125.73 145.57 50.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.409 ' SD ' ' CB ' ' A' ' 52' ' ' ALA . 2.3 mmm -122.19 146.25 47.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.537 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 0.6 OUTLIER -128.98 95.66 31.0 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.566 0.698 . . . . 0.0 110.844 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.59 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 65.0 Cg_exo -48.05 -43.29 30.89 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.327 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.7 Cg_exo -48.03 -59.73 1.14 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.697 2.265 . . . . 0.0 112.339 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -91.9 3.6 54.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 48.87 41.09 17.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 25.7 p -117.94 175.88 5.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.409 ' CB ' ' SD ' ' A' ' 45' ' ' MET . . . -153.57 135.93 14.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.097 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -108.77 106.35 16.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 49.2 t -105.11 122.03 57.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.115 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.5 m -106.1 129.65 54.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.175 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.496 ' CD2' ' HB3' ' A' ' 61' ' ' SER . 21.0 m-85 -97.73 142.63 29.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -54.15 -26.71 29.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.865 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.421 ' HA ' ' NZ ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -127.07 168.14 15.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.3 ptp -82.65 -39.86 21.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -42.16 -42.21 2.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.496 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 21.6 m -63.95 -47.84 78.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.808 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.422 ' CB ' HD22 ' A' ' 18' ' ' LEU . . . -40.51 -58.86 1.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.073 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -62.77 -39.4 94.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.831 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -58.35 -67.4 0.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -45.7 -57.36 4.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.053 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.421 HG21 ' CD1' ' A' ' 83' ' ' ILE . 14.0 t -56.62 -18.02 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.118 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.1 -35.78 15.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -98.03 -58.36 2.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.471 ' CD1' ' CE2' ' A' ' 34' ' ' PHE . 9.4 mt -53.43 -38.26 63.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -39.74 116.73 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 55.93 35.74 64.61 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.455 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.407 ' N ' ' O ' ' A' ' 69' ' ' LEU . 6.7 t -90.59 167.18 12.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.749 0.309 . . . . 0.0 111.123 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -127.47 95.99 4.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.4 m -118.13 143.15 29.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 54.21 29.28 10.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.1 m 67.56 29.27 7.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 43.7 t -137.49 120.73 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -71.74 112.54 7.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.5 mt -99.45 138.48 36.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.972 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.93 109.51 15.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 13.9 t -108.18 145.79 14.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -145.31 158.16 43.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.421 ' CD1' HG21 ' A' ' 66' ' ' VAL . 8.6 mm -77.18 97.24 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -48.54 122.34 5.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -69.31 -39.59 78.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -74.34 88.6 2.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -125.25 77.11 68.08 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.606 0.717 . . . . 0.0 110.938 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -178.54 2.39 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.664 2.243 . . . . 0.0 112.364 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 13.3 ptm -62.74 99.32 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.89 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.1 mt -132.23 139.05 48.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.937 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -131.65 176.61 8.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.873 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 89.4 p -137.0 131.56 33.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -93.29 146.59 18.19 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.506 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -0.68 7.27 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.692 2.262 . . . . 0.0 112.339 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 96' ' ' SER . 3.2 t -50.45 121.77 6.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.845 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 95' ' ' SER . 18.7 m -38.42 -56.33 1.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.535 179.986 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.3 t -106.02 118.54 36.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.85 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 5' ' ' SER . 77.3 p -66.63 -28.19 68.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 54.11 -84.0 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.553 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.477 ' N ' ' O ' ' A' ' 3' ' ' SER . 4.9 t -53.93 125.32 18.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.83 0.348 . . . . 0.0 110.871 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.1 p -75.18 124.44 27.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.815 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.08 -41.73 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.455 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -86.75 54.68 3.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.858 0.361 . . . . 0.0 110.864 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -116.11 35.84 4.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.9 tpp85 -53.72 138.15 35.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -85.09 164.2 42.44 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.556 0.693 . . . . 0.0 111.101 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 159.07 54.73 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.716 2.277 . . . . 0.0 112.307 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? -111.63 132.22 54.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -42.7 133.31 3.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -130.77 156.65 21.79 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.504 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.8 t30 -115.34 -39.16 3.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.887 0.375 . . . . 0.0 110.86 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.4 m -85.28 156.22 21.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.8 mt -136.74 126.02 24.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.942 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -80.03 105.48 11.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.1 t -95.99 140.5 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.101 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -132.99 116.81 16.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.948 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.457 ' N ' ' HE2' ' A' ' 25' ' ' MET . . . -139.22 178.23 19.7 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.468 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.538 ' CD ' ' N ' ' A' ' 23' ' ' GLU . 2.7 mp0 -117.98 -70.5 0.79 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.889 0.376 . . . . 0.0 110.86 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -101.86 53.23 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.457 ' HE2' ' N ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -123.79 150.28 44.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.4 p -122.41 158.6 55.57 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.557 0.694 . . . . 0.0 111.123 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -47.99 -55.57 3.89 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.686 2.257 . . . . 0.0 112.321 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.8 m -47.34 -37.15 10.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.6 tt -66.24 -52.91 43.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.1 mt -58.11 -28.95 65.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.43 ' HA ' ' CD1' ' A' ' 40' ' ' ILE . 65.2 mtp85 -60.15 -46.68 88.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -87.66 -5.48 78.26 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.513 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.51 -31.71 12.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.357 . . . . 0.0 111.123 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.565 ' CZ ' HD11 ' A' ' 69' ' ' LEU . 33.8 m-85 -96.19 -26.17 15.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.579 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -53.84 -46.23 98.56 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.707 0.765 . . . . 0.0 110.887 -179.787 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 35' ' ' SER . 64.8 Cg_exo -47.97 -32.17 17.41 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.682 2.254 . . . . 0.0 112.341 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -82.36 -38.45 24.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.48 -162.08 22.17 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.474 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -96.02 120.74 36.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.828 0.346 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.43 ' CD1' ' HA ' ' A' ' 31' ' ' ARG . 56.7 mt -81.47 109.44 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.7 pt -99.41 -30.12 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -136.52 107.13 6.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.7 tp -127.66 110.25 12.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 m -117.45 137.4 52.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.822 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 7.8 mmm -125.29 130.37 51.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.531 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 16.9 t70 -123.35 95.56 45.27 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.567 0.699 . . . . 0.0 110.793 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.584 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 66.1 Cg_exo -48.02 -43.31 30.67 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.67 2.247 . . . . 0.0 112.362 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.1 Cg_exo -47.92 -64.54 0.23 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.673 2.248 . . . . 0.0 112.343 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.62 -1.54 31.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 m120 52.75 44.22 30.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.7 p -144.86 175.51 10.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -152.94 171.12 18.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.073 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -134.4 100.9 4.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.868 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.48 HG13 ' CD2' ' A' ' 34' ' ' PHE . 63.6 t -95.37 126.18 47.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 59.3 m -107.25 144.36 34.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.45 ' CD2' ' HB3' ' A' ' 61' ' ' SER . 13.8 m-85 -113.5 142.36 46.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.92 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 63.4 tt0 -55.17 -21.48 13.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -131.73 152.2 51.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -73.62 -23.36 59.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -58.77 -42.09 88.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.45 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 23.5 m -64.78 -34.41 78.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.14 -59.48 3.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.129 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -64.12 -34.87 79.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -60.6 -68.12 0.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -48.11 -54.82 11.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.47 ' CG2' HD11 ' A' ' 83' ' ' ILE . 5.5 t -54.81 -15.64 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.86 -35.78 14.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -98.0 -58.98 1.85 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.565 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 9.4 mt -54.65 -22.96 15.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.934 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.03 114.04 2.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 65.69 14.99 61.36 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.481 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.5 t -77.24 160.98 28.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.759 0.314 . . . . 0.0 111.094 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -124.43 94.99 4.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.1 m -112.41 141.74 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 55.08 32.08 17.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 48.7 m 64.46 30.27 13.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.865 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 94.9 t -137.29 111.86 9.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.161 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -67.88 110.1 3.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.424 ' CD2' ' HG2' ' A' ' 25' ' ' MET . 38.5 mt -100.56 140.84 34.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -121.15 106.27 11.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.0 t -106.92 137.86 35.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -140.99 155.76 46.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.47 HD11 ' CG2' ' A' ' 66' ' ' VAL . 17.5 mm -69.35 95.14 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.115 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -39.73 101.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -64.73 -7.49 11.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.7 ptmt -115.85 86.79 2.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -116.39 78.88 8.62 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.617 0.722 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 89' ' ' MET . 53.5 Cg_endo -69.77 -177.22 1.78 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.702 2.268 . . . . 0.0 112.311 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.408 ' C ' ' O ' ' A' ' 88' ' ' PRO . 36.6 mtm -37.77 100.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.5 tt -84.46 103.15 13.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -76.2 108.7 9.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 89.4 p -109.64 -45.31 3.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.827 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 160.21 148.59 5.3 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.514 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -13.03 34.0 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.679 2.253 . . . . 0.0 112.33 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 70.9 p -45.76 100.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 18.0 t -146.43 158.15 43.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.506 179.983 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.6 m -101.61 101.11 11.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.87 0.367 . . . . 0.0 110.872 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -117.25 148.84 41.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.28 -166.55 29.38 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.509 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 t -173.01 176.28 3.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.902 0.382 . . . . 0.0 110.823 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.4 m -67.22 110.46 3.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.886 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.52 143.25 13.49 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.493 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -111.67 29.67 7.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.876 0.369 . . . . 0.0 110.875 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.6 mtm-85 -73.22 121.94 21.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -42.47 112.42 0.35 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -87.03 150.67 50.38 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.528 0.68 . . . . 0.0 111.12 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 125.33 12.02 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.642 2.228 . . . . 0.0 112.375 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -92.19 159.22 15.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.02 51.75 8.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.426 ' O ' ' CB ' ' A' ' 62' ' ' ALA . . . -68.95 -175.6 11.25 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -105.33 -39.24 6.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.904 0.383 . . . . 0.0 110.916 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.14 147.36 26.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.55 HD12 ' CE2' ' A' ' 56' ' ' TYR . 7.4 mt -129.42 127.88 41.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -80.08 112.54 17.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.565 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 21.8 t -108.28 142.2 21.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.091 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -138.95 122.5 17.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -137.47 -176.74 14.6 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.544 ' CD ' ' N ' ' A' ' 23' ' ' GLU . 2.8 mp0 -117.02 -66.2 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.869 0.366 . . . . 0.0 110.871 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -107.51 51.12 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.62 151.77 36.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.9 p -121.43 155.54 59.0 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.604 0.716 . . . . 0.0 111.125 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.415 ' N ' ' HE3' ' A' ' 45' ' ' MET . 65.6 Cg_exo -48.03 -58.3 1.83 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.715 2.276 . . . . 0.0 112.328 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.2 m -50.25 -32.04 15.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.171 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.42 ' HG ' ' CD ' ' A' ' 75' ' ' GLU . 5.5 tt -66.19 -50.99 61.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.953 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.3 mt -59.0 -31.32 68.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.1 mtm180 -55.84 -44.2 77.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.842 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -89.78 -9.46 66.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.533 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.45 -33.85 16.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.801 0.334 . . . . 0.0 111.096 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.565 ' CZ ' HG21 ' A' ' 20' ' ' VAL . 19.4 m-85 -95.94 -24.59 16.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.573 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -55.88 -46.21 99.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.688 0.756 . . . . 0.0 110.829 -179.765 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.573 ' CD ' ' N ' ' A' ' 35' ' ' SER . 64.8 Cg_exo -47.96 -27.28 8.56 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.662 2.241 . . . . 0.0 112.342 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -82.2 -35.35 28.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -175.24 -122.02 0.67 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.481 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -132.53 131.08 41.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.785 0.326 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.6 mt -92.53 115.1 30.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.3 pt -98.12 -28.9 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.166 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -139.34 107.7 5.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.7 tp -127.92 112.73 15.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.2 p -126.92 133.51 50.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.415 ' HE3' ' N ' ' A' ' 27' ' ' PRO . 1.3 mmt -112.72 133.47 54.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.538 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 61.4 m-20 -115.37 95.61 43.35 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.631 0.729 . . . . 0.0 110.874 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.59 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 64.1 Cg_exo -47.96 -43.34 30.27 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.656 2.237 . . . . 0.0 112.358 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.2 Cg_exo -47.97 -64.8 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.658 2.239 . . . . 0.0 112.372 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 50' ' ' ASN . 7.7 mmm180 -87.36 17.9 4.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.913 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 49' ' ' ARG . 78.4 m-20 36.29 41.54 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 18.0 p -126.76 -178.59 4.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -157.2 167.09 31.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.115 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -134.62 103.78 5.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.407 HG13 ' CD2' ' A' ' 34' ' ' PHE . 47.9 t -101.09 125.62 55.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.6 m -111.46 129.78 55.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.55 ' CE2' HD12 ' A' ' 18' ' ' LEU . 21.8 m-85 -96.65 149.28 21.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -67.31 -32.69 73.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -115.5 110.86 19.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.448 ' O ' ' N ' ' A' ' 62' ' ' ALA . 19.0 ptp -34.75 -48.17 0.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 59' ' ' MET . 12.2 pt-20 -35.22 -51.94 0.58 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.428 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 27.4 m -53.05 -44.61 67.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.839 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.461 ' HA ' ' CD2' ' A' ' 18' ' ' LEU . . . -36.93 -64.48 0.35 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.056 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.3 -44.35 95.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -48.65 -61.74 1.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -52.44 -63.25 1.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.9 t -51.82 -19.21 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.06 -38.58 16.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -98.04 -57.01 2.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.467 ' N ' ' O ' ' A' ' 65' ' ' ALA . 9.3 mt -53.07 -39.64 63.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 69' ' ' LEU . 1.1 t30 -37.38 116.54 0.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 53.87 41.14 66.66 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.489 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.405 ' N ' ' O ' ' A' ' 69' ' ' LEU . 7.2 t -96.41 156.43 16.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.766 0.317 . . . . 0.0 111.149 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -113.12 95.15 5.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.0 m -118.01 139.48 45.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.42 ' CD ' ' HG ' ' A' ' 29' ' ' LEU . 13.2 mt-10 52.09 34.26 13.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 32.7 m 62.43 32.17 16.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.825 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 50.9 t -138.53 115.5 11.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.143 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -70.33 108.92 4.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 15.5 mt -96.37 141.37 29.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -121.53 107.89 12.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.5 t -106.27 144.15 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -151.84 138.78 19.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 16.7 mm -65.8 97.83 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -38.63 158.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.111 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.5 tpp180 -114.06 -41.41 3.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.7 ttpp -93.49 47.74 1.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -113.36 79.05 3.71 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.547 0.689 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 178.41 4.6 Favored 'Trans proline' 0 N--CA 1.466 -0.133 0 C-N-CA 122.707 2.271 . . . . 0.0 112.337 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -48.22 107.35 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.9 tt -107.59 93.77 4.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -156.67 131.77 9.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.4 t -123.86 167.12 14.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 112.65 -174.38 16.0 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.482 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 98.84 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.651 2.234 . . . . 0.0 112.358 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.8 m 49.23 46.44 22.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 88.8 p -61.72 -41.74 98.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.459 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -158.22 138.22 12.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 0.0 110.863 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.8 m -127.53 119.29 25.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.14 -129.01 8.99 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.467 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.5 p -97.13 155.86 16.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.931 0.396 . . . . 0.0 110.855 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.4 p -127.02 100.53 6.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 47.74 83.56 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.514 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -75.03 106.42 6.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.809 0.337 . . . . 0.0 110.884 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.7 ptp85 -79.33 125.21 29.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.98 173.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -153.8 148.1 19.18 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.611 0.72 . . . . 0.0 111.097 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 144.94 55.45 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.681 2.254 . . . . 0.0 112.306 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.431 ' C ' ' NE ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -116.19 75.85 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.7 pttp -164.53 133.67 3.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 161.31 163.25 13.92 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 56' ' ' TYR . 3.9 t-20 -120.76 -38.9 2.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.939 0.399 . . . . 0.0 110.888 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.0 m -86.28 156.18 20.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.438 ' CD2' ' HA ' ' A' ' 62' ' ' ALA . 10.7 mt -140.28 124.89 18.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -82.07 104.44 12.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.543 HG23 ' CZ ' ' A' ' 34' ' ' PHE . 38.3 t -97.05 149.39 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.173 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -140.78 131.62 25.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.922 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.441 ' HA3' ' CG ' ' A' ' 25' ' ' MET . . . -147.78 -177.14 21.94 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.471 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -127.46 -49.2 1.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.803 0.335 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -118.55 43.82 2.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.441 ' CG ' ' HA3' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -115.51 154.16 29.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.6 p -125.82 156.79 70.76 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.586 0.708 . . . . 0.0 111.131 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.436 ' N ' ' HE3' ' A' ' 45' ' ' MET . 64.4 Cg_exo -47.97 -60.11 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.683 2.255 . . . . 0.0 112.386 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.4 m -48.67 -30.65 5.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.167 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.403 ' CD2' ' HG3' ' A' ' 75' ' ' GLU . 6.0 tt -69.64 -53.0 20.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.1 mt -58.62 -27.3 64.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.914 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.419 ' HB3' ' NH1' ' A' ' 31' ' ' ARG . 7.8 mtp-105 -62.48 -44.97 95.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -87.32 -7.15 76.94 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.481 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.402 ' C ' ' HD2' ' A' ' 36' ' ' PRO . . . -96.3 -35.44 11.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.832 0.349 . . . . 0.0 111.112 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.569 ' CE2' HD12 ' A' ' 69' ' ' LEU . 29.9 m-85 -92.23 -20.26 21.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.847 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.579 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -60.08 -46.09 97.97 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.649 0.737 . . . . 0.0 110.832 -179.776 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 35' ' ' SER . 63.9 Cg_exo -47.96 -25.26 6.09 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.633 2.222 . . . . 0.0 112.376 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.453 ' CE1' ' HG ' ' A' ' 69' ' ' LEU . 82.8 m-85 -87.01 -28.4 22.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 177.77 -137.44 3.4 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -119.21 127.82 53.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.758 0.314 . . . . 0.0 110.896 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.408 ' CD1' ' HA ' ' A' ' 31' ' ' ARG . 38.4 mt -89.99 106.86 17.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.8 pt -93.93 -22.32 5.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -145.5 111.64 5.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.4 tp -135.3 109.17 8.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.3 m -117.08 134.2 55.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.436 ' HE3' ' N ' ' A' ' 27' ' ' PRO . 2.3 mmm -116.6 129.22 56.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.529 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 1.6 m-20 -120.66 95.65 48.95 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.637 0.732 . . . . 0.0 110.857 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.582 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 65.1 Cg_exo -47.98 -43.28 30.55 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.701 2.267 . . . . 0.0 112.348 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.6 Cg_exo -48.04 -51.51 9.84 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.68 2.253 . . . . 0.0 112.335 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 66.3 mmt-85 -96.41 12.73 30.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 38.98 36.82 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 26.3 p -132.56 171.51 13.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -150.42 165.38 33.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -127.94 102.09 6.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 65.6 t -98.33 123.51 50.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.158 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.9 m -107.63 135.96 48.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.494 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 15.0 m-85 -103.79 142.48 34.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -52.9 -35.62 58.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.3 167.37 10.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 9.8 ptp -83.48 -35.35 24.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -47.46 -50.9 21.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.48 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 67.2 m -51.35 -49.88 60.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.438 ' HA ' ' CD2' ' A' ' 18' ' ' LEU . . . -37.95 -58.95 0.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.099 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.05 -37.93 89.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -57.79 -66.9 0.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -47.28 -55.98 7.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.458 ' CG2' HD12 ' A' ' 83' ' ' ILE . 13.7 t -53.51 -17.34 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.07 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -91.2 -39.52 12.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -97.91 -58.39 2.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.569 HD12 ' CE2' ' A' ' 34' ' ' PHE . 9.1 mt -56.67 -13.15 2.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.405 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -70.85 115.86 10.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 179.894 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 65.92 13.83 60.05 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.519 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.3 t -78.43 153.35 31.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.751 0.31 . . . . 0.0 111.16 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -114.8 95.07 5.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.2 m -110.93 141.59 25.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.099 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.403 ' HG3' ' CD2' ' A' ' 29' ' ' LEU . 5.8 mm-40 54.51 34.96 22.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.0 m 62.43 28.87 17.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.821 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 70.6 t -138.04 117.61 15.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -68.92 107.31 3.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.9 mt -94.15 130.13 40.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.57 108.33 18.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.909 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.449 ' CG2' ' HB3' ' A' ' 69' ' ' LEU . 3.6 t -109.14 135.27 48.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -138.25 155.3 48.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.458 HD12 ' CG2' ' A' ' 66' ' ' VAL . 13.9 mm -69.82 96.17 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.158 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -40.15 120.07 1.13 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 41.6 mtp180 -89.28 33.65 0.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.3 ttpt -120.88 36.22 4.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -125.08 83.73 60.12 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.584 0.707 . . . . 0.0 110.971 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -175.15 1.06 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.632 2.221 . . . . 0.0 112.361 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 34.5 ttm -74.93 113.62 12.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.7 mt -113.64 77.46 1.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.26 125.18 26.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.82 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.8 t -78.38 170.73 16.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -94.79 178.68 36.53 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -49.43 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.678 2.252 . . . . 0.0 112.353 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 92.0 p -54.0 177.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.8 m -157.1 170.23 22.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.831 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.498 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.9 m -118.67 80.97 1.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.914 0.388 . . . . 0.0 110.869 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.0 t -109.87 94.67 5.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.19 174.87 14.99 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.452 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.5 m -126.87 116.79 21.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.885 0.374 . . . . 0.0 110.852 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 t -170.35 178.06 3.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.53 -139.99 3.25 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.7 mp0 -55.85 110.87 0.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 110.87 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.9 mmt85 -45.64 129.54 8.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -94.56 170.3 9.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -103.88 143.64 27.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.581 0.705 . . . . 0.0 111.1 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 113.11 3.27 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.663 2.242 . . . . 0.0 112.366 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -67.75 163.74 20.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.404 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -162.4 148.48 12.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -173.56 148.2 10.04 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.526 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.7 p-10 -108.39 -36.4 6.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.926 0.393 . . . . 0.0 110.904 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.6 m -86.19 155.71 20.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.458 HD13 ' CD2' ' A' ' 56' ' ' TYR . 10.7 mt -139.91 127.4 21.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -85.71 111.64 20.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.554 HG22 ' CZ ' ' A' ' 34' ' ' PHE . 42.1 t -102.63 151.28 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.12 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.455 ' CD1' ' N ' ' A' ' 22' ' ' GLY . 10.3 t80 -133.4 145.49 50.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.455 ' N ' ' CD1' ' A' ' 21' ' ' TYR . . . -165.12 -179.97 39.34 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.505 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -133.47 -39.88 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.35 . . . . 0.0 110.841 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -124.48 41.16 3.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.415 ' CG ' ' HA3' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -115.35 157.54 23.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 47.8 p -130.9 155.64 81.19 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.598 0.713 . . . . 0.0 111.114 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -48.01 -57.24 2.46 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.682 2.255 . . . . 0.0 112.322 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 52.1 m -46.85 -34.04 5.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.118 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.6 tt -69.91 -50.34 43.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.6 mt -59.38 -26.48 65.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -63.52 -43.56 96.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -90.93 -5.23 68.42 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.512 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.9 -35.51 10.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.79 0.329 . . . . 0.0 111.071 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.607 ' CE2' ' CD1' ' A' ' 69' ' ' LEU . 42.1 m-85 -93.5 -21.19 19.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.584 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -58.99 -45.94 99.55 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.645 0.736 . . . . 0.0 110.844 -179.774 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 35' ' ' SER . 66.1 Cg_exo -48.0 -33.98 21.8 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.73 2.287 . . . . 0.0 112.306 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -78.93 -36.3 41.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -178.09 -165.13 32.43 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.477 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -89.33 130.9 35.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.777 0.322 . . . . 0.0 110.902 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 60.4 mt -93.15 110.55 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 14.1 pt -95.88 -25.71 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.144 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -142.1 111.74 6.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.8 tp -133.41 111.21 10.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.944 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.4 p -122.04 141.38 51.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.8 mmm -123.22 135.05 54.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.532 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 9.7 m-20 -120.18 95.52 49.1 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.54 0.686 . . . . 0.0 110.886 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.596 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 64.4 Cg_exo -47.95 -43.39 30.09 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.7 2.267 . . . . 0.0 112.329 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 64.6 Cg_exo -47.9 -58.31 1.82 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 51' ' ' CYS . 8.4 mmt85 -92.48 15.72 13.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 38.65 30.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.412 ' N ' ' O ' ' A' ' 49' ' ' ARG . 72.6 m -116.25 -177.33 3.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.501 ' C ' ' CD1' ' A' ' 53' ' ' PHE . . . -159.97 175.77 12.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.501 ' CD1' ' C ' ' A' ' 52' ' ' ALA . 1.5 m-85 -146.49 108.77 4.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 49.0 t -106.81 133.97 49.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.4 m -112.82 140.82 47.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.567 ' CD2' ' HB3' ' A' ' 61' ' ' SER . 20.7 m-85 -109.08 141.66 40.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -58.62 -23.29 58.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 33.8 mttm -122.22 169.8 10.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.842 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.8 ptp -84.57 -46.84 11.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -42.37 -42.95 3.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.567 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 36.4 m -58.59 -48.8 79.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -44.8 -56.91 4.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.15 -45.09 86.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.833 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -52.6 -65.46 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -46.89 -62.29 1.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.087 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.8 t -50.35 -18.39 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.168 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.47 -35.13 18.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.076 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -98.13 -58.28 2.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.607 ' CD1' ' CE2' ' A' ' 34' ' ' PHE . 8.9 mt -53.39 -26.49 19.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -52.33 117.02 2.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 56.65 22.15 38.52 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.453 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.3 t -81.18 155.21 26.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.787 0.327 . . . . 0.0 111.135 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -116.85 95.39 4.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.3 m -114.31 142.22 27.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.117 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 54.37 34.78 21.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.7 m 63.59 29.97 15.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 41.4 t -138.02 121.6 20.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.089 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -76.09 102.64 5.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 29.0 mt -92.43 141.78 28.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.4 ttmm -122.73 112.0 17.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.2 t -109.96 145.27 16.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.46 ' C ' ' ND2' ' A' ' 82' ' ' ASN . 0.2 OUTLIER -147.83 151.38 35.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.9 mm -72.55 94.7 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -40.3 122.64 1.6 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.077 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -65.86 -47.39 75.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -87.94 99.32 12.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.928 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -127.47 77.19 76.16 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.634 0.73 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -176.11 1.37 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.675 2.25 . . . . 0.0 112.339 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 5.7 mmt 47.16 38.57 6.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.3 tt -119.76 -59.58 1.79 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -38.45 -45.63 1.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 79.0 p -39.58 109.63 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.831 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -154.24 83.82 0.15 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -33.06 17.14 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.659 2.239 . . . . 0.0 112.338 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.8 t -113.77 134.33 54.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 54.5 p -171.29 149.02 2.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.488 -179.963 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.4 m -131.53 132.64 44.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.9 0.381 . . . . 0.0 110.865 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.5 p -53.21 -49.64 66.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.842 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.4 63.83 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.3 m -102.12 110.5 22.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.899 0.38 . . . . 0.0 110.842 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 t -169.6 115.75 0.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.41 121.6 1.89 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.483 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -51.12 -53.85 30.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.891 0.377 . . . . 0.0 110.928 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 55.0 mtp85 61.19 38.79 16.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 -120.04 107.61 13.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -43.44 143.73 1.43 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.563 0.696 . . . . 0.0 111.117 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 95.94 0.57 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.655 2.236 . . . . 0.0 112.34 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.425 ' HB2' ' NH1' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -41.74 123.26 2.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.2 ptmm? -112.19 -49.68 2.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.45 114.22 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.509 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 -119.5 -39.29 2.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.898 0.38 . . . . 0.0 110.849 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.8 m -84.16 151.99 24.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.539 HD13 ' CD2' ' A' ' 56' ' ' TYR . 10.3 mt -137.41 126.26 24.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -80.98 118.67 22.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.95 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.472 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 4.6 t -114.04 142.63 26.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.136 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -133.43 124.66 27.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.408 ' HA3' ' CG ' ' A' ' 25' ' ' MET . . . -138.78 -175.61 14.09 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.522 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -131.57 -42.25 1.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.914 0.387 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.74 43.48 2.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.408 ' CG ' ' HA3' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -118.96 151.9 37.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.8 p -121.97 158.21 55.57 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.541 0.686 . . . . 0.0 111.165 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -48.01 -55.47 3.99 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.657 2.238 . . . . 0.0 112.353 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.9 m -57.77 -30.55 65.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.164 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.43 ' CG ' ' HG3' ' A' ' 75' ' ' GLU . 6.0 tt -65.27 -47.5 76.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.0 mt -64.0 -30.27 71.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.0 mtp180 -56.21 -41.05 74.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -92.37 -6.0 64.85 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.531 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.31 -33.66 13.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 0.0 111.105 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.562 ' CZ ' HD11 ' A' ' 69' ' ' LEU . 35.0 m-85 -95.78 -29.31 14.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.575 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -51.34 -45.95 89.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.637 0.732 . . . . 0.0 110.841 -179.756 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' ' 35' ' ' SER . 64.8 Cg_exo -48.02 -20.56 2.18 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.708 2.272 . . . . 0.0 112.343 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -91.79 -35.78 13.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.67 -137.19 2.41 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -117.59 123.16 45.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.753 0.311 . . . . 0.0 110.89 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.9 mt -83.89 105.44 13.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.198 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.2 pt -91.05 -16.7 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -151.42 111.02 4.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.6 tp -133.81 109.68 9.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.9 t -120.29 148.54 43.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -125.49 141.86 51.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.536 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 42.1 m-20 -130.07 95.48 28.08 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.622 0.725 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.592 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 64.8 Cg_exo -47.93 -43.27 30.28 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.658 2.239 . . . . 0.0 112.41 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.592 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.6 Cg_exo -48.0 -65.32 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.705 2.27 . . . . 0.0 112.317 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.8 mmm-85 -85.98 0.8 52.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 49.92 50.51 18.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 26.4 p -134.35 175.42 9.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -153.82 152.34 30.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -117.15 102.73 9.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.899 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.493 HG12 ' CD2' ' A' ' 34' ' ' PHE . 66.4 t -101.6 117.53 47.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.089 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 53.2 m -106.03 135.26 47.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.539 ' CD2' HD13 ' A' ' 18' ' ' LEU . 29.4 m-85 -101.76 145.93 28.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -60.42 -18.36 50.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -129.18 157.31 42.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.427 ' HG2' ' N ' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -77.9 -29.66 50.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.897 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.427 ' N ' ' HG2' ' A' ' 59' ' ' MET . 2.5 pt-20 -59.36 -33.95 71.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.5 m -70.97 -36.59 72.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.866 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -53.58 -53.78 46.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.12 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.419 ' CG ' ' N ' ' A' ' 64' ' ' GLN . 0.2 OUTLIER -64.4 -47.42 79.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.419 ' N ' ' CG ' ' A' ' 63' ' ' ASP . 32.9 mt-30 -51.55 -64.35 0.84 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -46.14 -61.97 1.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.098 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.445 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 12.9 t -51.1 -20.19 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.13 -35.89 18.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -98.03 -58.09 2.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.562 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 8.7 mt -54.81 -20.99 9.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.445 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -63.15 118.65 8.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.931 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 65.78 13.03 58.48 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.1 t -75.43 158.69 32.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.788 0.328 . . . . 0.0 111.138 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -120.7 95.0 4.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.2 m -112.0 141.86 26.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.43 ' HG3' ' CG ' ' A' ' 29' ' ' LEU . 5.2 mm-40 52.07 39.45 26.51 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.7 m 58.57 29.01 17.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.1 t -138.16 118.05 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.153 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -69.52 111.36 5.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.7 mt -95.1 133.03 39.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -114.08 106.64 14.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.0 t -105.45 149.55 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -152.79 149.16 28.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.442 ' CD1' HG21 ' A' ' 66' ' ' VAL . 9.2 mm -68.92 95.3 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.131 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 83' ' ' ILE . . . -37.12 106.68 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.061 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.81 -18.76 65.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.8 tptm -102.05 83.65 2.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -121.95 83.79 44.15 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.596 0.712 . . . . 0.0 110.935 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -179.67 3.09 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.69 2.26 . . . . 0.0 112.293 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 28.2 ttp -72.97 120.34 18.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.2 mp -62.87 122.61 16.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -132.69 112.08 11.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 23.0 t -55.69 -54.29 46.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -178.07 146.09 7.32 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.521 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -27.9 25.77 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.688 2.259 . . . . 0.0 112.333 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.8 t -65.92 153.97 40.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.848 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 m -112.85 110.39 20.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.837 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.456 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.0 p -119.42 -179.34 3.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.871 0.367 . . . . 0.0 110.866 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.6 m 49.01 46.72 22.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.854 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.9 114.94 2.32 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.9 p -171.64 134.34 0.82 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.888 0.375 . . . . 0.0 110.85 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.2 p -131.76 144.03 50.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.71 131.1 10.13 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.509 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -93.35 -55.62 3.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.887 0.375 . . . . 0.0 110.909 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 83.1 mtt180 -80.42 171.9 14.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 45.8 mtt180 -89.49 -35.7 15.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -175.03 144.79 0.84 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.585 0.707 . . . . 0.0 111.12 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.471 ' O ' ' C ' ' A' ' 13' ' ' ARG . 53.8 Cg_endo -69.77 2.9 3.12 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.686 2.257 . . . . 0.0 112.342 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.471 ' C ' ' O ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER 31.29 43.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.4 pttm -119.86 -11.51 9.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.38 164.42 47.96 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.475 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -113.01 -29.33 7.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.936 0.398 . . . . 0.0 110.891 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.0 m -86.03 156.16 20.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.13 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.1 mt -138.42 127.05 23.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -83.85 102.46 12.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.956 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.475 HG22 ' CZ ' ' A' ' 34' ' ' PHE . 41.7 t -96.14 145.87 8.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.163 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -135.62 132.74 37.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.97 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.415 ' HA3' ' CG ' ' A' ' 25' ' ' MET . . . -151.55 178.97 28.56 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.435 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -126.35 -48.75 1.56 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.868 0.366 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -118.8 45.96 1.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.415 ' CG ' ' HA3' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -115.18 157.87 23.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.1 p -129.33 153.99 80.59 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.57 0.7 . . . . 0.0 111.109 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.438 ' N ' ' HE2' ' A' ' 45' ' ' MET . 65.7 Cg_exo -47.98 -62.56 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.682 2.255 . . . . 0.0 112.325 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 86.4 m -45.9 -31.45 2.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.6 tt -69.38 -49.25 57.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.2 mt -61.09 -30.58 70.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.932 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.45 ' HA ' ' CD1' ' A' ' 40' ' ' ILE . 13.6 mtp85 -58.02 -44.41 87.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -89.38 -11.07 64.93 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.499 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.69 -32.62 16.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.802 0.334 . . . . 0.0 111.128 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.533 ' CZ ' HD13 ' A' ' 69' ' ' LEU . 28.1 m-85 -95.36 -28.03 15.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.93 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.574 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -52.51 -46.09 95.44 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.672 0.749 . . . . 0.0 110.871 -179.776 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 35' ' ' SER . 64.5 Cg_exo -47.97 -21.43 2.69 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.671 2.247 . . . . 0.0 112.339 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -91.9 -29.31 16.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 177.99 -139.76 4.35 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.523 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -115.05 122.28 45.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.748 0.309 . . . . 0.0 110.962 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.45 ' CD1' ' HA ' ' A' ' 31' ' ' ARG . 35.9 mt -83.34 105.4 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.086 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.5 pt -94.34 -21.01 5.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.152 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -143.77 106.04 4.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.881 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.9 tp -130.75 111.62 12.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.1 t -121.53 145.59 47.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.438 ' HE2' ' N ' ' A' ' 27' ' ' PRO . 1.8 mmt -130.62 135.91 48.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.527 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 16.0 t0 -132.64 95.54 19.89 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.592 0.71 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.582 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 64.3 Cg_exo -47.91 -43.36 29.92 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.696 2.264 . . . . 0.0 112.34 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 64.8 Cg_exo -47.93 -63.24 0.33 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.698 2.265 . . . . 0.0 112.35 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.8 mmt85 -79.91 -0.87 36.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 m120 50.49 47.1 24.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.5 p -147.96 170.82 16.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -150.03 168.37 24.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -131.66 108.01 9.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 65.7 t -104.09 134.53 45.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.403 HG21 ' N ' ' A' ' 56' ' ' TYR . 51.2 m -117.69 149.97 39.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.171 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.403 ' N ' HG21 ' A' ' 55' ' ' THR . 21.7 m-85 -118.46 141.12 48.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -58.97 -16.28 17.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -136.34 112.61 9.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 62' ' ' ALA . 10.6 ptp -37.81 -42.37 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 59' ' ' MET . 16.3 pt-20 -37.09 -51.97 0.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.929 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 72.6 m -57.93 -40.4 80.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 59' ' ' MET . . . -40.82 -57.4 1.95 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.127 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.421 ' C ' ' OD1' ' A' ' 63' ' ' ASP . 1.6 t0 -65.73 -40.13 91.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -54.5 -65.76 0.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -46.78 -57.93 4.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.087 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.438 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 14.6 t -52.75 -18.69 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.75 -37.91 16.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.068 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -97.75 -58.97 1.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.533 HD13 ' CZ ' ' A' ' 34' ' ' PHE . 10.4 mt -52.33 -32.47 38.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -50.22 117.3 2.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 58.67 26.41 60.01 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.517 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.4 t -88.4 155.29 19.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.712 0.291 . . . . 0.0 111.166 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -114.66 95.72 5.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.6 m -113.66 140.11 35.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.09 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 54.56 30.7 13.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 t 68.51 29.99 5.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 39.5 t -138.34 116.99 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.12 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -71.93 100.45 2.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.8 mt -89.91 136.98 32.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 27.1 mttm -119.28 108.78 15.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.6 t -110.5 140.14 30.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.142 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -145.04 141.84 29.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.401 ' CD1' HG23 ' A' ' 66' ' ' VAL . 6.1 mm -66.38 109.26 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.119 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 85' ' ' ARG . . . -51.83 164.17 0.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.138 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.427 ' O ' ' C ' ' A' ' 86' ' ' LYS . 30.6 mtp180 -36.62 153.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.832 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 85' ' ' ARG . 11.1 pttt -36.03 140.5 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -132.34 81.11 61.56 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.601 0.715 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -179.1 2.67 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.637 2.224 . . . . 0.0 112.365 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.422 ' O ' ' C ' ' A' ' 90' ' ' LEU . 24.8 mtm -97.0 74.56 2.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 89' ' ' MET . 0.1 OUTLIER -35.95 127.76 0.7 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.962 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -113.39 -54.29 2.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.849 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.1 t 55.76 33.72 21.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.836 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 157.74 -95.95 0.15 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.499 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 122.09 8.76 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.681 2.254 . . . . 0.0 112.348 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 37.1 t -160.02 126.81 4.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.831 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 45.0 t -79.47 114.65 18.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.475 -179.958 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.8 m -99.6 96.71 7.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.916 0.389 . . . . 0.0 110.854 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t 59.94 42.37 16.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.845 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.52 88.82 0.19 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.476 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 m -73.52 -46.72 46.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.854 0.359 . . . . 0.0 110.897 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.4 p -88.51 149.64 23.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.801 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.32 108.32 0.58 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.462 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -69.59 95.58 0.86 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.835 0.35 . . . . 0.0 110.895 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.8 tpt85 -40.54 -45.07 2.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -38.79 121.64 1.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.04 152.41 86.42 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.643 0.735 . . . . 0.0 111.063 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 126.7 13.59 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.711 2.274 . . . . 0.0 112.279 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -91.26 141.77 28.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 42.4 mttt -61.35 153.33 27.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.953 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.453 ' O ' ' CB ' ' A' ' 62' ' ' ALA . . . -163.72 162.76 35.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.471 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 -109.51 -46.51 3.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.959 0.409 . . . . 0.0 110.936 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.3 m -84.6 153.66 23.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.3 mt -136.5 127.69 28.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -81.61 108.11 14.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.479 HG23 ' CZ ' ' A' ' 34' ' ' PHE . 16.8 t -106.64 143.3 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.123 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.419 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 5.3 t80 -137.83 127.53 25.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.417 ' N ' ' HE1' ' A' ' 25' ' ' MET . . . -138.84 -165.74 10.37 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.495 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -132.23 -56.4 0.97 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.891 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -114.15 41.58 2.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.446 ' HG2' ' CD2' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -109.95 151.79 26.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.6 p -124.6 156.91 67.22 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.663 0.744 . . . . 0.0 111.116 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -47.97 -62.56 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.661 2.241 . . . . 0.0 112.342 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 94.2 m -46.71 -34.18 4.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.167 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.5 tt -66.79 -47.76 71.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.6 mt -61.12 -30.76 70.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.7 mtp180 -59.19 -41.11 87.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -91.35 -7.49 65.27 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.459 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.14 -34.55 13.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.81 0.338 . . . . 0.0 111.083 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.58 ' CE2' ' CD1' ' A' ' 69' ' ' LEU . 36.9 m-85 -94.41 -22.75 18.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.572 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -58.37 -46.09 99.65 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.631 0.729 . . . . 0.0 110.856 -179.799 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 35' ' ' SER . 64.2 Cg_exo -47.9 -19.16 1.36 Allowed 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.691 2.26 . . . . 0.0 112.381 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -91.36 -37.07 13.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.25 -129.4 1.17 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.508 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -123.82 133.77 53.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.81 0.338 . . . . 0.0 110.901 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 33.5 mt -96.7 113.72 31.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.082 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.5 pt -99.51 -24.01 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -141.67 107.75 5.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.1 tp -129.9 110.15 11.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.3 t -129.76 134.8 47.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.828 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -107.32 151.45 25.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.87 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.531 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 16.7 t70 -129.18 95.6 30.53 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.586 0.708 . . . . 0.0 110.845 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.596 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 65.1 Cg_exo -47.96 -43.42 30.05 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.753 2.302 . . . . 0.0 112.297 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 64.0 Cg_exo -47.93 -65.2 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.698 2.265 . . . . 0.0 112.359 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -89.59 12.36 16.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.0 m120 40.85 44.06 1.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 7.5 p -120.68 -177.92 3.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -156.79 148.53 22.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.083 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -119.64 102.77 8.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 45.8 t -101.65 115.2 42.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.148 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.3 m -97.32 139.79 32.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.46 ' CD2' ' CB ' ' A' ' 61' ' ' SER . 14.5 m-85 -107.57 142.16 37.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -58.64 -19.9 43.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -128.15 166.55 18.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.25 -21.05 27.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.834 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -61.39 -45.02 96.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.46 ' CB ' ' CD2' ' A' ' 56' ' ' TYR . 48.9 m -59.76 -48.5 81.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.453 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -40.31 -60.9 0.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.089 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -63.26 -41.0 98.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -55.43 -67.21 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -47.23 -59.98 2.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.415 ' CB ' HD11 ' A' ' 83' ' ' ILE . 17.5 t -47.99 -21.68 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.75 -36.84 15.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.065 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -97.58 -58.44 2.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.58 ' CD1' ' CE2' ' A' ' 34' ' ' PHE . 9.8 mt -54.93 -17.12 3.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -65.89 118.36 9.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 61.17 18.01 53.85 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.492 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.3 t -82.56 153.62 25.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.743 0.306 . . . . 0.0 111.124 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -114.9 95.12 5.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.2 m -109.71 140.69 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 55.39 29.1 12.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.4 p 68.92 29.3 5.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 43.1 t -138.24 118.91 16.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.132 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -73.42 112.79 9.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.446 ' CD2' ' HG2' ' A' ' 25' ' ' MET . 46.8 mt -102.52 140.55 36.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -118.19 106.11 12.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 16.7 t -104.69 145.87 12.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -147.08 155.58 42.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.415 HD11 ' CB ' ' A' ' 66' ' ' VAL . 14.6 mm -73.14 94.87 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.091 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.79 157.73 1.13 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.092 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.01 30.1 5.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -105.36 41.4 1.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.936 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -124.49 75.18 62.46 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.578 0.704 . . . . 0.0 110.925 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 -171.56 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.68 2.253 . . . . 0.0 112.363 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 49.5 tpp -73.37 127.36 32.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.8 mp -89.31 42.75 1.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -66.15 -60.34 2.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.0 p -78.8 166.75 22.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.42 96.06 0.51 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.512 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 89.54 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.693 2.262 . . . . 0.0 112.372 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.2 t 68.17 41.25 1.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 80.6 p -147.71 138.76 23.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.531 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.5 m -109.44 106.53 16.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.908 0.385 . . . . 0.0 110.807 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -156.66 109.2 2.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.827 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.32 -139.89 3.39 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.5 p -94.21 159.26 15.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.91 0.386 . . . . 0.0 110.835 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.6 m -102.97 127.82 50.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.46 149.1 18.04 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.479 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 9' ' ' ARG . 4.6 tp10 -82.97 105.32 13.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.855 0.36 . . . . 0.0 110.876 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 8' ' ' GLU . 17.9 ptt180 34.34 43.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 10' ' ' ARG . 9.0 ttp-105 -117.21 124.74 49.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -134.07 150.78 75.24 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.592 0.71 . . . . 0.0 111.059 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 99.61 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.676 2.251 . . . . 0.0 112.374 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -73.11 -52.84 12.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.06 155.17 20.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.449 ' O ' ' CB ' ' A' ' 62' ' ' ALA . . . 174.06 94.21 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.447 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -107.88 -39.84 5.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.905 0.383 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.1 m -88.73 156.16 19.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.551 HD13 ' CE2' ' A' ' 56' ' ' TYR . 8.8 mt -139.34 128.28 23.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -81.35 108.87 15.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -108.68 146.56 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.129 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -143.09 118.08 10.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.42 -174.92 13.83 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.514 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.548 ' CD ' ' N ' ' A' ' 23' ' ' GLU . 2.8 mp0 -117.36 -70.32 0.8 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.855 0.36 . . . . 0.0 110.868 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -103.5 52.68 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.41 149.52 42.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.7 p -120.06 156.44 54.62 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.617 0.723 . . . . 0.0 111.107 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_exo -47.99 -53.04 7.22 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.648 2.232 . . . . 0.0 112.346 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 59.8 m -55.62 -33.38 63.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.122 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.7 tt -65.17 -47.14 78.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.8 mt -62.32 -31.47 72.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 42.4 mtt-85 -56.04 -43.12 77.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -90.93 -4.5 69.23 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.07 -32.78 12.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.854 0.359 . . . . 0.0 111.098 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.401 ' CZ ' HD11 ' A' ' 69' ' ' LEU . 23.8 m-85 -95.46 -26.63 15.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.586 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -51.62 -46.03 91.11 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.661 0.743 . . . . 0.0 110.846 -179.756 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 35' ' ' SER . 66.1 Cg_exo -48.0 -37.75 30.4 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.697 2.264 . . . . 0.0 112.318 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -76.42 -37.79 56.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.08 -166.55 32.37 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.504 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -92.54 117.35 29.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.353 . . . . 0.0 110.85 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 33.4 mt -76.33 114.34 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.1 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.1 pt -101.47 -18.9 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.163 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -149.03 108.43 3.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.8 tp -134.6 113.18 11.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.4 m -127.02 145.5 50.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -121.46 136.04 54.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.533 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 4.5 m-20 -122.09 95.68 47.2 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.612 0.72 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.585 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 65.1 Cg_exo -47.97 -43.31 30.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.671 2.247 . . . . 0.0 112.349 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.6 Cg_exo -48.01 -32.74 18.87 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.705 2.27 . . . . 0.0 112.319 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.6 mmm-85 -120.94 14.58 11.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.1 m120 36.54 37.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 27.4 p -122.63 170.09 10.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -145.52 157.84 43.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -127.55 101.2 6.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 45.6 t -98.31 125.63 51.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.177 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.9 m -108.81 136.61 48.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.551 ' CE2' HD13 ' A' ' 18' ' ' LEU . 28.4 m-85 -107.17 144.44 33.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -60.24 -34.59 73.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.9 148.73 31.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.32 -25.93 63.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.835 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -57.76 -44.11 85.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.448 ' HB2' ' CB ' ' A' ' 56' ' ' TYR . 50.7 m -59.22 -48.66 80.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.466 ' HA ' ' CD2' ' A' ' 18' ' ' LEU . . . -40.97 -56.35 2.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.043 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -67.61 -42.62 82.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -55.34 -67.65 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -45.0 -57.49 3.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.12 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.9 t -53.79 -21.53 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.41 -37.01 21.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -97.6 -58.34 2.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 65' ' ' ALA . 8.6 mt -52.43 -22.87 5.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -59.11 115.77 3.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 59.27 25.81 60.72 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.9 t -86.25 159.22 19.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.767 0.318 . . . . 0.0 111.178 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -118.84 95.17 4.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.7 m -112.71 139.93 35.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 54.55 33.74 19.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 48.1 m 64.83 29.82 12.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 49.5 t -138.48 124.17 24.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.179 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -77.51 112.93 14.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.96 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.4 mt -100.79 138.12 38.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.942 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -116.81 106.67 13.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.3 t -106.6 149.85 9.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.14 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 43.0 m-20 -152.82 150.26 29.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 15.8 mm -67.95 97.14 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.167 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.57 105.13 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.067 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -57.94 -48.67 79.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -81.57 99.19 8.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -120.01 80.94 26.96 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.55 0.691 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -3.68 12.46 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.663 2.242 . . . . 0.0 112.38 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 54.9 mtp -98.03 113.96 25.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -118.39 115.66 25.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -72.95 121.9 20.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.2 t -145.58 128.55 16.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 131.79 138.34 4.17 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.467 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 104.63 1.35 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.685 2.257 . . . . 0.0 112.386 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 69.9 m -82.87 40.12 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.8 m 38.22 41.71 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.859 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.481 -179.992 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -47.69 172.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.874 0.368 . . . . 0.0 110.819 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 t -105.22 157.13 17.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.805 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.85 -62.86 3.21 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.499 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -92.56 -51.96 4.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.893 0.378 . . . . 0.0 110.87 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 t -56.34 155.11 7.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.29 -103.12 1.78 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.5 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -132.49 143.1 49.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.82 0.343 . . . . 0.0 110.921 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 60.0 mtm180 -76.1 156.86 33.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -109.35 88.54 2.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -128.86 148.93 70.81 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.608 0.718 . . . . 0.0 111.061 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -173.18 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.637 2.225 . . . . 0.0 112.323 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 41.35 44.64 2.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.1 tttt -105.41 -48.35 3.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.939 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.16 90.32 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.495 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 -109.1 -44.09 4.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.951 0.405 . . . . 0.0 110.916 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.7 m -84.33 149.36 26.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.171 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.525 ' CD1' ' CE2' ' A' ' 56' ' ' TYR . 7.7 mt -132.76 128.8 37.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -82.56 110.71 17.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.551 HG23 ' CZ ' ' A' ' 34' ' ' PHE . 17.3 t -103.51 147.03 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.12 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.402 ' CD1' ' N ' ' A' ' 22' ' ' GLY . 8.5 t80 -137.55 139.61 40.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.404 ' HA3' ' CG ' ' A' ' 25' ' ' MET . . . -158.64 178.7 34.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.455 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.542 ' CD ' ' N ' ' A' ' 23' ' ' GLU . 2.8 mp0 -119.1 -61.15 1.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.881 0.372 . . . . 0.0 110.896 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -109.96 50.6 0.79 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.409 ' HG2' ' CD2' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -120.8 150.31 41.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.6 p -122.1 158.52 55.02 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.538 0.685 . . . . 0.0 111.16 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -47.95 -61.68 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.69 2.26 . . . . 0.0 112.363 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 94.7 m -44.56 -35.88 2.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.1 tt -65.14 -53.23 48.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.5 mt -56.43 -31.62 64.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.7 mtp180 -58.72 -40.57 84.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -91.56 -5.35 67.0 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.494 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.7 -33.82 12.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.803 0.335 . . . . 0.0 111.103 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.551 ' CZ ' HG23 ' A' ' 20' ' ' VAL . 35.0 m-85 -94.6 -25.31 16.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.576 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -56.84 -45.93 99.9 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.679 0.752 . . . . 0.0 110.863 -179.756 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' ' 35' ' ' SER . 65.9 Cg_exo -47.99 -20.32 2.03 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.677 2.252 . . . . 0.0 112.309 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -90.61 -33.6 15.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -178.41 -124.49 0.87 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.459 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -125.73 140.67 52.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.853 0.359 . . . . 0.0 110.883 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 68.3 mt -104.15 110.3 29.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.2 pt -95.3 -24.23 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -143.42 113.76 7.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.841 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.3 tp -135.95 112.88 10.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.9 t -122.65 147.3 46.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -127.7 141.67 51.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.532 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 8.6 m-20 -126.87 95.6 36.9 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.596 0.713 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.597 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 64.8 Cg_exo -47.97 -43.39 30.19 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.679 2.252 . . . . 0.0 112.321 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.0 Cg_exo -47.92 -62.13 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.657 2.238 . . . . 0.0 112.392 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -85.99 -2.9 58.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.8 m120 55.87 35.69 25.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 50.7 m -121.65 -178.36 3.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -156.98 172.69 18.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.087 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -142.36 109.05 5.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.6 t -106.02 132.94 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.152 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.4 m -116.08 128.95 56.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.183 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.525 ' CE2' ' CD1' ' A' ' 18' ' ' LEU . 27.3 m-85 -96.24 143.12 27.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -58.47 -18.7 30.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -132.46 163.02 29.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.39 -23.48 30.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -62.88 -19.95 64.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.3 m -90.83 -30.17 17.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.69 -54.45 44.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.079 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.36 -39.45 92.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -56.77 -68.21 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -46.47 -56.99 5.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.454 ' CB ' HD12 ' A' ' 83' ' ' ILE . 12.0 t -54.86 -17.31 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.155 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -91.46 -33.78 15.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -97.54 -58.0 2.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.888 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.543 HD13 ' CZ ' ' A' ' 34' ' ' PHE . 9.2 mt -55.84 -21.11 18.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -55.77 115.85 2.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 56.75 23.91 46.4 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.48 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.3 t -82.76 154.12 24.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.719 0.295 . . . . 0.0 111.14 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -114.93 95.48 5.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.2 m -115.87 143.91 24.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 53.83 36.77 24.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.1 m 61.6 28.38 17.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 94.7 t -138.02 127.01 32.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.137 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -80.24 105.51 11.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.409 ' CD2' ' HG2' ' A' ' 25' ' ' MET . 40.4 mt -95.73 141.24 29.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.04 113.43 19.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.419 ' CG2' ' HB3' ' A' ' 69' ' ' LEU . 8.0 t -109.37 145.11 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -148.14 157.28 43.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.454 HD12 ' CB ' ' A' ' 66' ' ' VAL . 11.0 mm -77.26 95.01 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -40.88 120.27 1.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 6.4 ttp-105 -69.45 -23.34 63.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.89 103.88 10.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -119.65 71.26 14.03 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.597 0.713 . . . . 0.0 110.937 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.492 ' O ' ' N ' ' A' ' 90' ' ' LEU . 54.0 Cg_endo -69.75 -174.68 0.95 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.713 2.275 . . . . 0.0 112.371 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.401 ' C ' ' O ' ' A' ' 88' ' ' PRO . 19.0 mmt 37.36 28.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 88' ' ' PRO . 0.5 OUTLIER -66.54 161.01 23.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -53.15 136.34 36.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 44.9 t -169.96 149.68 3.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 127.33 67.85 0.15 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.449 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -23.44 30.83 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.701 2.267 . . . . 0.0 112.363 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 59.7 p -44.97 136.46 4.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.8 t -42.96 158.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.497 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 t -70.77 -46.07 63.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.883 0.373 . . . . 0.0 110.899 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.8 m -59.08 142.16 52.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 168.05 55.99 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 4' ' ' GLY . 60.2 p 37.38 45.42 0.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.88 0.371 . . . . 0.0 110.877 -179.725 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 7' ' ' GLY . 55.5 m -92.71 98.18 11.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 36.75 44.95 0.99 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.516 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -64.29 123.98 20.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.875 0.369 . . . . 0.0 110.877 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 -104.9 172.12 6.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.416 ' C ' ' HD2' ' A' ' 10' ' ' ARG . 3.6 ppt_? -124.37 155.08 39.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -117.52 157.28 47.98 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.566 0.698 . . . . 0.0 111.13 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 124.95 11.57 Favored 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.671 2.247 . . . . 0.0 112.377 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -60.23 104.25 0.3 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -152.9 146.97 25.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 156.72 158.56 8.94 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.513 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -115.19 -39.38 3.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.9 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.3 m -87.36 151.77 22.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.166 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.411 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 4.6 mt -129.89 131.7 46.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -87.11 98.91 11.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.95 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.558 HG23 ' CZ ' ' A' ' 34' ' ' PHE . 5.7 t -94.13 139.59 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.117 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -141.23 122.51 14.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -137.49 -153.45 6.35 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.454 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -131.07 -61.68 0.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.834 0.35 . . . . 0.0 110.893 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -114.13 42.7 2.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -103.26 139.92 38.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 73.4 p -114.15 155.52 45.43 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.602 0.715 . . . . 0.0 111.113 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -47.95 -61.1 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.705 2.27 . . . . 0.0 112.368 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 90.0 m -49.5 -33.18 13.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.0 tt -66.42 -48.83 68.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.3 mt -59.85 -28.07 67.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.435 ' HB3' ' NH1' ' A' ' 31' ' ' ARG . 9.2 mtp-105 -63.4 -39.01 93.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -92.94 -11.56 58.74 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.24 -30.64 13.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.826 0.346 . . . . 0.0 111.084 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.562 ' CE2' HD12 ' A' ' 69' ' ' LEU . 17.9 m-85 -96.52 -22.74 16.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.587 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -55.36 -46.0 99.77 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.65 0.738 . . . . 0.0 110.864 -179.788 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 35' ' ' SER . 64.8 Cg_exo -47.97 -23.44 4.31 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.661 2.241 . . . . 0.0 112.355 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.528 ' CE2' ' HG ' ' A' ' 69' ' ' LEU . 90.8 m-85 -88.89 -35.8 16.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 179.78 -158.14 21.58 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.485 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -96.16 137.26 35.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.34 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 88.9 mt -99.55 112.11 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.1 pt -99.89 -20.96 5.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -146.54 106.62 4.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 tp -128.27 115.6 18.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 29.1 t -122.16 149.89 42.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.823 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -133.37 140.32 47.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.918 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.531 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 15.5 m-20 -130.77 95.6 25.58 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.588 0.709 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.597 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 65.7 Cg_exo -47.99 -43.27 30.63 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.731 2.287 . . . . 0.0 112.298 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 64.8 Cg_exo -47.91 -59.89 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.724 2.283 . . . . 0.0 112.354 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -88.8 5.23 44.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 47.61 35.1 4.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 12.7 p -125.45 -179.09 4.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -160.73 169.28 23.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.081 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -134.41 102.26 5.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 66.6 t -100.33 132.4 46.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.118 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 27.0 m -114.55 138.48 50.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -106.23 140.98 38.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -53.22 -23.51 8.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -125.42 162.83 23.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.5 ptm -82.21 -29.9 31.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' A' ' 61' ' ' SER . 10.1 pt-20 -55.25 -43.1 74.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.47 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 53.8 m -64.35 -36.75 85.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.909 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.21 -54.93 21.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.155 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -67.5 -31.46 71.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -61.03 -65.44 0.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -47.51 -57.33 5.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.464 HG21 ' CD1' ' A' ' 83' ' ' ILE . 8.2 t -54.04 -15.69 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -91.19 -40.8 11.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -98.14 -59.02 1.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.562 HD12 ' CE2' ' A' ' 34' ' ' PHE . 11.2 mt -54.97 -14.35 1.45 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -66.07 118.33 9.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 60.65 20.97 57.3 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.3 t -87.01 154.17 20.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.738 0.304 . . . . 0.0 111.131 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -115.08 97.92 6.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.4 m -111.72 142.55 23.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 54.86 25.14 6.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.2 m 74.75 28.37 1.17 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 84.1 t -138.54 117.09 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.144 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -74.47 104.32 5.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.8 mt -92.43 150.6 20.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -127.14 107.67 10.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.934 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.411 ' CG1' ' HB3' ' A' ' 18' ' ' LEU . 2.4 t -104.09 129.68 55.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -136.87 137.36 39.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.464 ' CD1' HG21 ' A' ' 66' ' ' VAL . 7.7 mm -65.86 98.04 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -39.73 142.98 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.092 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -108.1 -13.32 14.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.475 ' CD ' ' O ' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -102.06 31.97 3.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -113.97 80.27 5.28 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.595 0.712 . . . . 0.0 110.891 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 179.48 3.68 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.671 2.247 . . . . 0.0 112.363 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 20.4 ttp -43.53 102.72 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.5 tt -88.25 -60.73 1.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -71.32 105.15 3.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.1 t -148.8 173.26 13.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 159.43 84.78 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.477 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -35.32 12.73 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.703 2.268 . . . . 0.0 112.32 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 7.1 t 65.52 53.97 1.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.822 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.0 p -135.85 144.72 45.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.83 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.509 179.97 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.3 m -67.01 150.38 49.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.884 0.373 . . . . 0.0 110.894 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.6 t -106.38 135.65 47.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.16 -77.38 1.18 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.5 p -80.86 145.93 31.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.846 0.355 . . . . 0.0 110.84 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 t -155.44 154.0 31.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.06 104.7 0.36 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.483 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -139.0 161.34 37.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.846 0.355 . . . . 0.0 110.902 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.61 141.14 23.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.2 mtp180 -82.97 107.1 15.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -149.88 155.4 38.03 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.536 0.684 . . . . 0.0 111.113 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 139.86 41.03 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.695 2.263 . . . . 0.0 112.322 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -108.29 121.77 45.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.4 mttt -118.54 136.75 53.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -124.79 108.12 1.07 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.505 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.9 p-10 -114.97 -47.2 2.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.919 0.39 . . . . 0.0 110.89 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.5 m -84.99 152.69 23.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.177 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.409 HD12 ' CE2' ' A' ' 56' ' ' TYR . 10.5 mt -135.36 127.1 29.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.933 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -82.04 107.98 15.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.963 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.0 t -103.76 149.38 7.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.138 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.471 ' CD1' ' N ' ' A' ' 22' ' ' GLY . 11.9 t80 -132.98 148.63 52.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.471 ' N ' ' CD1' ' A' ' 21' ' ' TYR . . . -167.73 177.46 42.06 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.464 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -131.61 -34.56 1.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.922 0.391 . . . . 0.0 110.912 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -126.06 40.98 3.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.438 ' HG2' ' CD2' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -117.5 154.12 31.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.4 p -124.56 157.26 66.05 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.579 0.705 . . . . 0.0 111.148 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.461 ' N ' ' HE1' ' A' ' 45' ' ' MET . 64.5 Cg_exo -47.98 -62.52 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.693 2.262 . . . . 0.0 112.332 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 75.4 m -49.55 -33.35 14.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.155 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.6 tt -62.29 -47.14 85.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.928 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.4 mt -64.31 -31.86 73.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.96 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.424 ' CD ' HD22 ' A' ' 43' ' ' LEU . 31.5 mmm-85 -55.59 -49.09 73.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -83.61 -12.96 76.91 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.505 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.01 -30.49 19.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.83 0.347 . . . . 0.0 111.094 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.562 ' CZ ' HD11 ' A' ' 69' ' ' LEU . 16.5 m-85 -96.71 -13.43 22.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.575 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 0.6 OUTLIER -57.29 -45.89 99.87 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.668 0.747 . . . . 0.0 110.824 -179.778 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' ' 35' ' ' SER . 65.7 Cg_exo -47.93 -51.67 9.51 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.743 2.296 . . . . 0.0 112.343 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.551 ' CE2' ' HG ' ' A' ' 69' ' ' LEU . 98.1 m-85 -61.65 -39.03 89.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 177.94 -155.6 17.6 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.452 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -97.07 142.78 28.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.778 0.323 . . . . 0.0 110.899 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 69.6 mt -102.36 109.83 27.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.137 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.8 pt -95.07 -26.36 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.122 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -139.06 112.77 8.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.424 HD22 ' CD ' ' A' ' 31' ' ' ARG . 7.7 tp -137.77 115.59 11.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.957 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.8 t -128.59 133.93 48.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.461 ' HE1' ' N ' ' A' ' 27' ' ' PRO . 1.0 OUTLIER -111.93 136.0 51.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.537 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 21.9 m-20 -119.81 95.48 49.19 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.611 0.719 . . . . 0.0 110.932 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.591 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 64.8 Cg_exo -47.89 -43.39 29.74 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.703 2.268 . . . . 0.0 112.343 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.0 Cg_exo -47.97 -63.94 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.632 2.221 . . . . 0.0 112.367 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.83 10.36 11.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.1 m120 42.26 40.33 1.73 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 98.8 m -126.82 -177.37 4.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -156.5 164.85 37.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.088 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -136.28 105.4 5.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.6 t -103.42 136.56 35.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.146 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 50.2 m -116.06 145.08 43.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.409 ' CE2' HD12 ' A' ' 18' ' ' LEU . 24.7 m-85 -112.93 140.83 47.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -58.67 -22.82 57.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.6 mttp -130.03 135.44 48.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.419 ' O ' ' C ' ' A' ' 60' ' ' GLU . 9.8 ptp -55.12 -40.68 70.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 59' ' ' MET . 10.5 pt-20 -36.25 -53.3 0.82 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 62' ' ' ALA . 24.0 m -58.03 -48.86 78.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 61' ' ' SER . . . -33.79 -63.03 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.101 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -62.25 -44.62 96.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -52.81 -66.1 0.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.52 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . . . -48.35 -62.13 1.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.5 t -49.82 -21.8 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.125 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.89 -36.97 21.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.057 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -97.85 -58.42 1.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.562 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 9.0 mt -53.88 -15.22 1.23 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.19 108.56 3.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 68.37 22.03 74.52 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.428 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 3.0 t -85.74 151.13 24.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.703 0.287 . . . . 0.0 111.152 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -107.77 97.47 7.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.3 m -114.9 140.04 38.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.084 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 55.25 29.06 12.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.6 t 69.88 29.77 3.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.856 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.5 t -138.54 125.53 26.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.12 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -78.15 102.66 7.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.438 ' CD2' ' HG2' ' A' ' 25' ' ' MET . 30.0 mt -93.3 139.98 30.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 38.3 mttp -120.43 108.28 13.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 12.5 t -106.52 148.04 11.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -148.1 160.11 43.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.6 mm -75.74 94.85 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.117 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -39.9 148.71 0.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -103.21 -18.62 14.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.417 ' HB3' ' NZ ' ' A' ' 86' ' ' LYS . 0.6 OUTLIER -98.2 46.39 1.01 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.951 179.906 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -126.49 81.58 67.82 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.589 0.709 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 178.59 4.41 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.679 2.253 . . . . 0.0 112.363 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.61 154.59 32.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -164.07 132.22 3.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -140.91 178.63 7.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.5 p -108.35 -52.92 2.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 177.4 -173.51 46.24 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.458 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -42.97 2.96 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.696 2.264 . . . . 0.0 112.367 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.3 p -49.52 156.06 0.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 21.5 m 58.63 42.33 20.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.491 179.995 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.2 p -107.9 117.89 35.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.878 0.371 . . . . 0.0 110.852 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.0 m -148.78 155.52 41.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.855 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.87 100.18 0.64 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.455 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m 52.44 41.18 30.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.869 0.366 . . . . 0.0 110.816 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.2 p -153.12 128.5 9.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.73 171.65 35.51 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.538 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -118.03 171.24 8.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.813 0.34 . . . . 0.0 110.909 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.8 mtt180 -98.72 115.26 28.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.4 mtm-85 -41.4 130.13 3.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -138.4 148.61 59.97 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.595 0.712 . . . . 0.0 111.102 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 119.7 6.6 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.73 2.287 . . . . 0.0 112.351 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.62 155.19 41.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.2 mtmm -91.73 133.66 35.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -147.74 132.87 4.43 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.6 p-10 -114.63 -47.79 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.894 0.378 . . . . 0.0 110.931 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.3 m -85.2 147.29 26.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.479 HD11 ' CE2' ' A' ' 56' ' ' TYR . 8.1 mt -127.71 136.86 52.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -91.98 110.92 22.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.942 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.555 HG23 ' CZ ' ' A' ' 34' ' ' PHE . 13.6 t -106.07 149.7 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.168 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.4 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 9.2 t80 -138.86 120.43 15.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.967 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -135.76 -174.5 13.41 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.504 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -128.72 -60.08 1.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.901 0.382 . . . . 0.0 110.935 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -108.84 46.2 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.848 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.84 154.39 31.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 p -124.24 157.31 64.83 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-O 121.61 0.719 . . . . 0.0 111.107 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -48.0 -64.51 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.686 2.257 . . . . 0.0 112.305 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 94.7 m -46.05 -32.87 3.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.409 ' HG ' ' CD ' ' A' ' 75' ' ' GLU . 5.5 tt -65.67 -48.56 71.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.9 mt -62.74 -31.45 72.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.7 mtm180 -55.67 -43.8 76.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -90.33 -3.37 72.38 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.511 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.59 -37.05 11.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.82 0.343 . . . . 0.0 111.089 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.555 ' CZ ' HG23 ' A' ' 20' ' ' VAL . 41.9 m-85 -94.36 -17.93 22.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.586 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -58.88 -46.0 99.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.68 0.753 . . . . 0.0 110.866 -179.792 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 35' ' ' SER . 64.4 Cg_exo -47.97 -38.02 30.65 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.681 2.254 . . . . 0.0 112.355 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -74.84 -37.74 62.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -176.85 -161.87 26.38 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.505 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -93.53 131.48 38.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.81 0.338 . . . . 0.0 110.852 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 45.9 mt -92.95 115.14 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.142 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.9 pt -99.45 -19.3 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.095 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -146.95 109.78 4.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.0 tp -132.42 106.21 7.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 29.7 t -117.33 143.74 45.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.416 ' SD ' ' CB ' ' A' ' 52' ' ' ALA . 20.9 mmm -126.84 127.42 44.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.531 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 28.8 m-20 -120.51 95.59 49.0 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.625 0.726 . . . . 0.0 110.865 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.579 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 63.8 Cg_exo -47.95 -43.31 30.28 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.668 2.245 . . . . 0.0 112.395 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.4 Cg_exo -47.98 -60.79 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.62 2.214 . . . . 0.0 112.378 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -85.3 4.76 33.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 44.91 53.77 7.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 29.2 p -148.41 175.96 10.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.416 ' CB ' ' SD ' ' A' ' 45' ' ' MET . . . -153.75 165.79 34.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.079 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -128.47 103.68 7.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 44.9 t -102.72 114.78 43.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.2 m -101.28 144.18 30.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.158 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.479 ' CE2' HD11 ' A' ' 18' ' ' LEU . 15.1 m-85 -110.55 144.14 39.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.936 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -59.55 -18.06 37.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.868 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt -134.45 156.36 48.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.478 ' SD ' ' N ' ' A' ' 60' ' ' GLU . 4.2 ppp? -71.22 -46.36 61.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.88 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.478 ' N ' ' SD ' ' A' ' 59' ' ' MET . 16.8 pt-20 -37.99 -44.51 0.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.461 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 63.0 m -63.48 -51.23 66.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.461 ' CB ' HD21 ' A' ' 18' ' ' LEU . . . -39.38 -59.44 1.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.081 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -62.63 -45.17 94.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -51.65 -64.62 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -47.28 -59.43 3.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.431 HG21 ' CD1' ' A' ' 83' ' ' ILE . 10.8 t -53.22 -18.03 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.08 -36.94 15.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -97.98 -58.92 1.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.553 ' CD1' ' CE2' ' A' ' 34' ' ' PHE . 8.3 mt -51.89 -36.76 49.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 69' ' ' LEU . 0.5 OUTLIER -37.29 114.83 0.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 51.22 39.88 43.62 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.467 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 69' ' ' LEU . 8.0 t -90.39 157.99 17.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.759 0.314 . . . . 0.0 111.142 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -114.13 95.37 5.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 1.9 m -116.99 139.49 43.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.409 ' CD ' ' HG ' ' A' ' 29' ' ' LEU . 20.2 mt-10 54.14 29.91 11.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.4 p 69.24 31.59 3.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 77.1 t -138.3 128.4 34.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.13 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -81.47 109.44 15.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.1 mt -98.33 139.2 34.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.943 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 31.0 mttp -119.44 104.81 10.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.875 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 19.4 t -104.1 145.68 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.139 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.418 ' CA ' HG22 ' A' ' 66' ' ' VAL . 30.1 t30 -152.55 151.84 31.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 85' ' ' ARG . 10.4 mm -70.52 95.4 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.133 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 83' ' ' ILE . . . -34.07 95.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.085 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -66.8 156.0 36.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.914 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.457 ' C ' ' CD ' ' A' ' 88' ' ' PRO . 29.2 ttpt 58.89 51.93 6.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.499 ' N ' ' CD ' ' A' ' 88' ' ' PRO . 21.9 pt20 -117.63 51.08 1.12 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.581 0.705 . . . . 0.0 110.902 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 87' ' ' GLN . 53.4 Cg_endo -69.78 -2.59 10.44 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.687 2.258 . . . . 0.0 112.332 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 8.2 mmt -123.35 36.35 4.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.0 mp -132.7 92.59 3.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -161.3 136.37 7.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.6 m -129.68 141.53 50.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 130.66 -155.9 21.4 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.526 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 140.86 43.55 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.69 2.26 . . . . 0.0 112.317 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.1 t -141.9 147.85 37.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 21.2 m -111.1 156.67 20.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.469 -179.978 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -48.56 117.48 2.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.908 0.385 . . . . 0.0 110.826 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 t -43.2 -60.9 1.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.0 -103.38 0.55 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.482 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.9 p -165.89 175.7 8.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 0.0 110.865 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.2 m -130.42 103.69 6.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.48 120.28 4.65 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -113.41 -53.89 2.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.819 0.343 . . . . 0.0 110.859 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -102.2 46.21 0.94 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -65.25 150.49 48.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -101.54 165.41 14.11 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.574 0.702 . . . . 0.0 111.13 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 0.44 5.64 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.724 2.283 . . . . 0.0 112.348 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -110.53 91.1 3.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.428 ' HD2' ' N ' ' A' ' 15' ' ' GLY . 0.0 OUTLIER -108.83 -32.99 7.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.463 ' O ' ' CB ' ' A' ' 62' ' ' ALA . . . -144.72 94.82 0.17 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.515 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -96.6 -41.18 8.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.927 0.394 . . . . 0.0 110.943 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.1 m -86.21 156.18 20.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.12 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.458 ' CD2' ' HA ' ' A' ' 62' ' ' ALA . 14.7 mt -134.87 128.58 32.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -84.4 111.61 19.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 16.0 t -108.35 147.5 13.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.096 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -140.8 123.18 15.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.923 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -137.93 -174.86 13.57 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.508 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -126.3 -60.52 1.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.35 . . . . 0.0 110.909 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -110.17 47.47 0.96 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.84 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.43 155.5 29.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.6 p -126.43 153.9 74.98 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.614 0.721 . . . . 0.0 111.112 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.429 ' N ' ' HE2' ' A' ' 45' ' ' MET . 65.1 Cg_exo -47.97 -59.77 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.687 2.258 . . . . 0.0 112.365 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 54.2 m -45.92 -35.14 4.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.136 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.1 tt -66.76 -49.53 65.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.1 mt -58.25 -31.12 67.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -58.84 -41.32 86.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.82 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -90.67 -9.65 64.2 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.504 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.12 -31.92 14.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.851 0.358 . . . . 0.0 111.096 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.489 ' CZ ' HD13 ' A' ' 69' ' ' LEU . 27.7 m-85 -96.43 -23.39 16.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.587 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -55.53 -46.0 99.78 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.665 0.745 . . . . 0.0 110.86 -179.796 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 35' ' ' SER . 63.7 Cg_exo -47.94 -37.62 29.69 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.67 2.247 . . . . 0.0 112.372 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -75.84 -37.48 58.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -176.35 -162.91 27.96 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -94.37 124.78 38.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.776 0.322 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 43.3 mt -84.56 114.76 25.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.9 pt -101.56 -21.23 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -145.0 106.23 4.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.4 tp -128.1 109.86 11.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 m -118.08 136.45 53.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.827 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.429 ' HE2' ' N ' ' A' ' 27' ' ' PRO . 1.4 mmt -124.03 131.89 53.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.531 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 1.4 m-20 -125.04 95.59 41.6 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.576 0.703 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.586 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 65.7 Cg_exo -47.96 -43.34 30.27 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.663 2.242 . . . . 0.0 112.361 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.0 Cg_exo -47.95 -63.74 0.29 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.702 2.268 . . . . 0.0 112.352 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 -81.68 6.26 15.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 44.05 48.35 7.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 24.3 p -145.88 173.81 11.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -153.68 167.9 28.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.09 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -134.81 101.82 5.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 71.5 t -96.09 130.42 44.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.101 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.428 HG21 ' N ' ' A' ' 56' ' ' TYR . 90.0 m -110.24 139.5 45.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.172 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.561 ' CD2' ' HB3' ' A' ' 61' ' ' SER . 15.6 m-85 -108.96 141.75 40.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -58.25 -32.3 68.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.4 mtpt -125.22 121.42 34.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.95 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.471 ' HG2' ' N ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -44.03 -36.7 2.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 179.887 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.471 ' N ' ' HG2' ' A' ' 59' ' ' MET . 6.7 mt-10 -39.14 -32.66 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.561 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 36.2 m -78.38 -47.25 18.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.463 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -36.0 -57.0 0.71 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -65.42 -45.5 83.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -54.02 -66.38 0.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -47.15 -58.64 3.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.5 t -53.88 -20.21 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.169 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.69 -38.19 18.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.084 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -97.88 -58.46 1.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.489 HD13 ' CZ ' ' A' ' 34' ' ' PHE . 9.3 mt -52.75 -21.02 3.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -61.69 118.15 6.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 60.53 21.83 58.21 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.501 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.7 t -84.67 157.5 21.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.696 0.284 . . . . 0.0 111.16 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -119.75 97.39 5.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.4 m -112.05 143.73 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 53.44 26.74 5.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.8 t 72.89 30.51 1.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.5 t -138.2 127.55 33.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.111 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -81.16 105.97 12.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 29.0 mt -95.73 137.83 34.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -115.83 108.8 16.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 5.3 t -110.54 144.08 19.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -149.28 155.69 40.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.846 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 13.3 mm -70.7 95.91 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.117 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -48.89 124.96 9.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 50.2 ttm-85 -70.91 -56.24 6.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -83.25 92.13 7.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -107.77 82.09 1.31 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.588 0.709 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 178.38 4.64 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.671 2.247 . . . . 0.0 112.357 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 13.6 mmt -70.7 138.52 50.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.6 mt -116.51 -45.07 2.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 19.9 p-10 -123.55 94.53 4.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.464 ' O ' ' C ' ' A' ' 93' ' ' GLY . 34.0 m -63.65 100.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 92' ' ' SER . . . -33.06 96.51 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.426 ' N ' ' O ' ' A' ' 92' ' ' SER . 53.3 Cg_endo -69.76 109.66 2.37 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.693 2.262 . . . . 0.0 112.311 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 60.5 p -109.39 134.83 51.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.821 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.6 t -86.08 167.12 15.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.813 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.464 -179.965 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.5 m -147.66 153.97 40.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.869 0.366 . . . . 0.0 110.869 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.1 t -99.27 171.7 7.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.834 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.49 128.98 9.73 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.497 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -94.7 134.92 36.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.824 0.345 . . . . 0.0 110.853 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.6 m -43.27 146.26 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.904 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.77 -151.8 8.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -132.2 142.29 49.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.863 0.363 . . . . 0.0 110.886 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 64.6 mtt-85 -60.67 114.75 3.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -50.06 135.49 20.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.849 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.25 151.15 94.46 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.59 0.709 . . . . 0.0 111.097 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 159.52 53.17 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.707 2.271 . . . . 0.0 112.357 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.406 ' C ' ' HG3' ' A' ' 14' ' ' LYS . 34.5 mtm180 -109.37 82.64 1.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.827 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.449 ' HE3' ' CE ' ' A' ' 59' ' ' MET . 43.3 mtpt -153.56 118.71 5.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.412 ' HA3' ' CD ' ' A' ' 87' ' ' GLN . . . -156.57 173.8 34.33 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.481 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.6 p-10 -108.91 -46.13 3.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.87 0.367 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.468 ' O ' ' NE2' ' A' ' 87' ' ' GLN . 6.4 m -85.4 155.34 21.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.527 HD13 ' CD2' ' A' ' 56' ' ' TYR . 12.4 mt -135.84 128.05 30.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -83.88 107.54 16.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.948 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.556 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 37.0 t -106.96 143.24 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.129 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.492 ' C ' ' CD1' ' A' ' 21' ' ' TYR . 0.3 OUTLIER -139.01 135.01 33.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.876 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -147.71 -162.82 10.29 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.469 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -135.04 -45.8 0.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.865 0.364 . . . . 0.0 110.841 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -122.82 45.86 2.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -117.88 139.65 50.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.7 p -112.63 155.61 43.64 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.543 0.687 . . . . 0.0 111.127 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo -48.0 -49.81 13.15 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.675 2.25 . . . . 0.0 112.296 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 87.0 m -58.53 -30.24 66.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.433 ' CG ' ' HG3' ' A' ' 75' ' ' GLU . 6.3 tt -68.4 -52.43 33.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.466 ' CD1' ' HE1' ' A' ' 45' ' ' MET . 13.3 mt -57.22 -28.93 63.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.937 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.437 ' HA ' ' CD1' ' A' ' 40' ' ' ILE . 48.6 mtt-85 -61.98 -39.01 90.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -93.05 -12.1 58.02 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.05 -31.7 14.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.797 0.332 . . . . 0.0 111.088 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.569 ' CE2' HD12 ' A' ' 69' ' ' LEU . 17.3 m-85 -95.19 -17.43 21.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.819 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.594 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -59.42 -45.69 98.93 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.713 0.768 . . . . 0.0 110.873 -179.81 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 35' ' ' SER . 64.5 Cg_exo -47.99 -34.93 24.08 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.692 2.261 . . . . 0.0 112.374 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -77.14 -36.02 55.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -178.99 -148.22 7.56 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -104.98 138.41 41.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.755 0.312 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.437 ' CD1' ' HA ' ' A' ' 31' ' ' ARG . 60.1 mt -99.98 113.24 34.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 12.8 pt -99.83 -33.16 3.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -134.6 106.48 7.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 tp -129.67 109.94 11.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.3 p -120.23 141.87 49.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.466 ' HE1' ' CD1' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -120.77 140.06 52.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.535 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 6.6 t70 -126.0 95.67 38.97 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.589 0.709 . . . . 0.0 110.851 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.598 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 65.0 Cg_exo -48.03 -43.28 30.79 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.669 2.246 . . . . 0.0 112.365 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.6 Cg_exo -47.97 -62.24 0.47 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.699 2.266 . . . . 0.0 112.312 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -91.9 12.23 22.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.5 m120 41.64 38.36 0.91 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.1 p -120.99 177.94 4.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -159.86 156.55 27.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.094 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -121.75 99.43 6.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.855 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 96.1 t -96.04 130.08 45.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.083 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 39.8 m -113.39 131.23 56.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.133 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.527 ' CD2' HD13 ' A' ' 18' ' ' LEU . 27.9 m-85 -99.84 141.4 32.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -55.65 -25.38 38.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 33.2 mttm -121.04 162.14 20.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.449 ' CE ' ' HE3' ' A' ' 14' ' ' LYS . 8.7 ptm -81.18 -30.64 34.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.458 ' HG3' ' N ' ' A' ' 61' ' ' SER . 14.2 pt-20 -55.34 -43.04 74.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.458 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 56.3 m -58.61 -43.52 89.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -45.09 -60.07 2.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.042 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -64.41 -39.91 94.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.821 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -55.34 -66.73 0.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -47.39 -56.14 7.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.45 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 6.7 t -52.33 -17.13 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -91.49 -38.21 12.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.111 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -98.13 -58.46 1.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.569 HD12 ' CE2' ' A' ' 34' ' ' PHE . 9.3 mt -57.63 -12.59 2.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.45 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -72.4 111.8 7.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 179.897 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 71.7 13.33 74.86 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.498 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.3 t -82.17 154.96 25.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.745 0.307 . . . . 0.0 111.148 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -118.93 95.12 4.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.4 m -107.49 143.56 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.433 ' HG3' ' CG ' ' A' ' 29' ' ' LEU . 5.9 mm-40 56.27 25.04 8.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.5 t 74.16 29.36 1.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.403 ' CG1' HD22 ' A' ' 79' ' ' LEU . 89.3 t -138.43 119.88 17.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.085 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -76.38 103.52 6.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.403 HD22 ' CG1' ' A' ' 77' ' ' VAL . 26.6 mt -89.36 147.55 24.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 19.3 ttpt -121.84 103.96 9.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.7 t -100.54 144.52 12.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -150.15 150.15 31.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.402 ' CD1' HG21 ' A' ' 66' ' ' VAL . 9.6 mm -70.9 94.75 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -41.27 108.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.467 ' HG2' ' N ' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -53.51 -28.39 30.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.922 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.467 ' N ' ' HG2' ' A' ' 85' ' ' ARG . 26.2 mmmt -112.2 62.16 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.468 ' NE2' ' O ' ' A' ' 17' ' ' THR . 2.4 pt20 -107.72 82.49 1.38 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.615 0.722 . . . . 0.0 110.899 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -176.23 1.42 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.681 2.254 . . . . 0.0 112.368 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 57.8 mtp -80.54 97.82 7.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 76.1 mt -104.62 131.73 51.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -136.63 149.64 48.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.8 m -95.1 -57.44 2.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 101.65 159.59 26.8 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.48 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 95' ' ' SER . 53.7 Cg_endo -69.71 2.8 3.18 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.696 2.264 . . . . 0.0 112.335 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 94' ' ' PRO . 18.3 m -35.87 -48.32 0.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 95' ' ' SER . 50.2 p -38.5 119.49 0.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.823 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.469 179.971 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.4 m -123.52 107.35 11.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.883 0.373 . . . . 0.0 110.858 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 t 69.95 38.8 1.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.829 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.06 57.01 5.98 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.497 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.9 t -61.34 -54.78 39.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.885 0.374 . . . . 0.0 110.826 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.4 m 56.1 42.68 28.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.868 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.15 -69.68 1.35 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.491 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.9 pm0 -66.75 154.39 40.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.872 0.368 . . . . 0.0 110.843 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.43 37.15 0.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.8 ttp85 53.52 41.15 32.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -38.95 150.62 0.21 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.576 0.703 . . . . 0.0 111.129 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -176.33 1.46 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.666 2.244 . . . . 0.0 112.332 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -123.94 -54.89 1.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt 66.86 43.07 2.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -101.48 79.44 0.4 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.537 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -126.87 -38.77 2.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.932 0.396 . . . . 0.0 110.901 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.0 m -87.22 154.19 20.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.173 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.539 HD12 ' CE2' ' A' ' 56' ' ' TYR . 9.7 mt -136.27 126.44 26.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -82.92 106.45 14.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.405 HG23 ' CZ ' ' A' ' 34' ' ' PHE . 22.3 t -105.37 143.93 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.11 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.401 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 7.9 t80 -138.11 119.79 15.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -132.94 -175.68 14.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.55 ' CD ' ' N ' ' A' ' 23' ' ' GLU . 3.2 mp0 -117.56 -69.94 0.82 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 110.891 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -105.71 50.5 0.78 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.78 151.55 36.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 p -124.46 158.4 61.74 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.606 0.717 . . . . 0.0 111.125 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -47.98 -62.71 0.4 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.667 2.244 . . . . 0.0 112.371 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 74.5 m -42.02 -37.91 1.49 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.146 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.6 tt -65.67 -51.29 60.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.7 mt -56.71 -31.61 64.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 52.2 mtt180 -59.38 -42.51 91.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -91.65 -9.22 63.07 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.481 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.32 -33.78 14.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.784 0.326 . . . . 0.0 111.096 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.619 ' CE2' ' CD1' ' A' ' 69' ' ' LEU . 45.8 m-85 -95.83 -19.6 19.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.58 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -62.03 -46.01 91.64 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.632 0.729 . . . . 0.0 110.831 -179.759 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.58 ' CD ' ' N ' ' A' ' 35' ' ' SER . 65.1 Cg_exo -47.98 -17.71 0.91 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.695 2.263 . . . . 0.0 112.366 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -93.43 -33.47 13.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -177.3 -130.31 1.36 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.46 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -123.6 133.33 53.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.802 0.334 . . . . 0.0 110.935 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 57.6 mt -95.02 110.78 24.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.5 pt -98.11 -18.51 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -148.93 106.9 3.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.3 tp -128.06 106.56 9.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.2 m -117.33 138.0 52.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.7 mmm -121.29 123.08 41.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.526 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 36.7 m-20 -114.04 95.62 38.92 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.586 0.707 . . . . 0.0 110.857 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.586 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 64.8 Cg_exo -47.99 -43.31 30.52 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.694 2.263 . . . . 0.0 112.357 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.5 Cg_exo -47.98 -44.97 26.38 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.344 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 50' ' ' ASN . 37.5 mmt180 -104.52 13.89 30.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 49' ' ' ARG . 24.1 m-80 37.29 41.44 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 29.7 p -134.65 174.23 10.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -152.63 161.24 42.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.138 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -124.77 102.2 7.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.8 t -98.93 117.08 43.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 40.1 m -100.21 132.39 45.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.539 ' CE2' HD12 ' A' ' 18' ' ' LEU . 15.9 m-85 -99.73 146.51 26.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -59.9 -24.31 64.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.7 mtmm -130.21 156.66 44.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.502 ' SD ' ' N ' ' A' ' 60' ' ' GLU . 4.0 ppp? -67.2 -49.15 65.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.898 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.502 ' N ' ' SD ' ' A' ' 59' ' ' MET . 19.7 pt-20 -35.91 -51.8 0.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.494 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 69.5 m -52.33 -52.25 54.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.462 ' CB ' HD21 ' A' ' 18' ' ' LEU . . . -41.14 -64.5 0.54 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.09 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.19 -45.98 79.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -51.96 -64.64 0.75 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -47.79 -57.55 5.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.118 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.467 HG23 ' CD1' ' A' ' 83' ' ' ILE . 9.2 t -54.81 -16.81 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -91.04 -36.31 14.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -97.94 -58.17 2.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.938 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.619 ' CD1' ' CE2' ' A' ' 34' ' ' PHE . 8.7 mt -54.69 -27.41 40.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -51.69 113.81 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 58.68 33.41 72.41 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.482 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.5 t -91.31 161.58 14.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.746 0.308 . . . . 0.0 111.149 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -120.67 95.76 4.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.933 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.8 m -116.99 141.0 37.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 54.57 33.37 18.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m 63.97 29.71 14.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 86.4 t -138.0 125.52 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.135 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -78.3 116.09 18.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 52.8 mt -105.72 141.2 37.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -122.5 108.65 13.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.1 t -108.64 139.06 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -145.93 143.34 29.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.467 ' CD1' HG23 ' A' ' 66' ' ' VAL . 8.3 mm -70.44 98.45 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.58 86.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 41.2 ttm-85 -44.66 -37.32 3.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.8 pttp -99.61 96.81 7.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -108.2 81.8 1.39 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.562 0.696 . . . . 0.0 110.949 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -2.09 9.59 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.657 2.238 . . . . 0.0 112.339 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 20.2 tpp -93.41 96.67 10.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 16.0 mt -117.25 127.89 54.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -110.72 77.92 1.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 89.5 p -109.44 136.23 49.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 79.42 94.13 0.34 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.521 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -6.05 17.68 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.668 2.245 . . . . 0.0 112.356 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.6 t -46.26 143.01 2.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.7 m -46.57 151.46 0.56 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.463 -179.956 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.2 m -80.97 87.26 6.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.883 0.373 . . . . 0.0 110.893 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.1 m -101.55 115.71 31.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.83 -70.2 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.495 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.7 m -112.52 -50.89 2.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.843 0.354 . . . . 0.0 110.827 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 t 64.85 42.92 4.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.9 -141.58 12.89 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.496 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.5 tp10 71.29 42.12 0.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.903 0.382 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -105.56 96.92 6.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -71.82 -30.14 65.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -167.71 153.16 6.95 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.501 0.667 . . . . 0.0 111.127 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 174.74 9.05 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.682 2.255 . . . . 0.0 112.354 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.9 ttm-85 -108.96 -43.11 4.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.4 mmtt -87.79 159.55 18.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 170.37 158.0 13.51 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.524 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.8 p-10 -110.41 -49.09 3.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.927 0.394 . . . . 0.0 110.914 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.8 m -87.29 155.26 20.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.461 HD11 ' CE2' ' A' ' 56' ' ' TYR . 9.3 mt -136.27 128.62 30.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -80.65 105.2 11.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.547 HG23 ' CZ ' ' A' ' 34' ' ' PHE . 48.0 t -103.38 137.37 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.121 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 0.6 OUTLIER -142.94 116.24 9.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.898 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -127.07 -145.88 6.34 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -133.66 -72.95 0.49 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.865 0.364 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -103.85 49.61 0.82 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.93 145.92 36.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.7 p -119.96 155.49 55.26 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.577 0.703 . . . . 0.0 111.16 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -47.97 -45.55 24.58 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.695 2.263 . . . . 0.0 112.317 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.7 m -64.63 -29.9 70.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.0 tt -70.79 -50.45 35.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.418 ' CD1' ' HE1' ' A' ' 45' ' ' MET . 13.2 mt -56.13 -31.51 63.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.405 ' HA ' ' CD1' ' A' ' 40' ' ' ILE . 67.4 mtt-85 -62.9 -37.78 88.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -90.6 -11.72 61.85 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.462 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.67 -30.86 13.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.784 0.326 . . . . 0.0 111.077 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.566 ' CE2' HD11 ' A' ' 69' ' ' LEU . 29.0 m-85 -95.5 -13.69 24.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.588 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -64.09 -45.98 79.95 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.652 0.739 . . . . 0.0 110.835 -179.782 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 35' ' ' SER . 64.4 Cg_exo -47.94 -24.62 5.37 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.689 2.259 . . . . 0.0 112.361 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.479 ' CE2' ' HG ' ' A' ' 69' ' ' LEU . 86.9 m-85 -87.28 -37.57 17.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -179.67 -147.45 7.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.458 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -104.76 141.16 36.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 110.875 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.405 ' CD1' ' HA ' ' A' ' 31' ' ' ARG . 60.8 mt -102.93 115.22 44.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.6 pt -102.03 -24.71 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.151 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -140.99 106.08 4.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.5 tp -130.6 109.28 10.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.2 m -119.89 148.02 44.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.418 ' HE1' ' CD1' ' A' ' 30' ' ' LEU . 0.3 OUTLIER -126.11 138.74 53.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.535 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 0.6 OUTLIER -123.83 95.57 44.22 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.662 0.744 . . . . 0.0 110.834 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.592 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 65.1 Cg_exo -47.97 -43.42 30.14 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.667 2.245 . . . . 0.0 112.313 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.592 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 66.6 Cg_exo -47.95 -53.14 7.06 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.74 2.293 . . . . 0.0 112.312 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -100.95 11.57 39.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.939 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.7 m120 41.66 36.4 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 18.2 p -117.53 -177.26 3.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -161.94 162.64 29.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.092 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -130.86 99.45 4.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.5 t -95.45 127.97 47.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.089 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 93.8 m -108.53 139.88 42.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.509 ' CD2' ' HB3' ' A' ' 61' ' ' SER . 14.0 m-85 -108.57 142.2 39.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -62.85 -22.78 66.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 59' ' ' MET . 49.6 mttt -131.64 109.74 10.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.446 ' HG2' ' N ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -35.18 -37.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.446 ' N ' ' HG2' ' A' ' 59' ' ' MET . 14.4 mt-10 -37.02 -46.53 0.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.509 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 56.6 m -64.6 -46.07 84.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.437 ' HA ' ' CD2' ' A' ' 18' ' ' LEU . . . -35.58 -59.19 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.091 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.5 -45.06 88.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.871 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -54.58 -67.13 0.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -46.06 -58.17 3.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.441 ' CB ' HD13 ' A' ' 83' ' ' ILE . 9.4 t -54.18 -18.27 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.116 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.3 -36.72 15.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.065 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -98.01 -58.35 2.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.566 HD11 ' CE2' ' A' ' 34' ' ' PHE . 12.3 mt -55.43 -17.9 5.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.406 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -65.44 116.73 7.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 179.915 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 65.93 17.38 65.27 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.453 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.3 t -84.89 152.31 23.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.696 0.284 . . . . 0.0 111.181 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -115.74 96.33 5.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.4 m -110.22 142.62 22.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.139 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 56.1 28.76 13.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.3 m 70.33 25.6 4.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 92.1 t -135.94 121.29 28.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -77.89 111.78 14.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 24.0 mt -98.6 146.47 25.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.958 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -119.2 104.87 10.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.407 ' CG2' ' HB3' ' A' ' 69' ' ' LEU . 4.2 t -101.86 136.69 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -140.99 156.23 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.441 HD13 ' CB ' ' A' ' 66' ' ' VAL . 11.7 mm -75.47 95.23 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.146 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -47.67 129.41 13.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.118 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -89.37 41.87 1.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -128.94 40.63 3.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -108.06 88.3 4.56 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.611 0.72 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -3.26 11.65 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.711 2.274 . . . . 0.0 112.35 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 25.8 ttm -116.4 140.91 48.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 88.3 mt -117.42 148.37 41.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -73.16 162.49 29.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 65.6 p -171.28 145.08 2.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -101.62 123.9 8.05 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.517 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -1.1 7.86 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.73 2.287 . . . . 0.0 112.345 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.1 m -161.49 145.23 12.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 m -126.05 148.19 49.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 -179.979 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.43 -0.268 . . . . 0.0 112.43 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 t -153.93 130.55 10.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.892 0.377 . . . . 0.0 110.882 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.2 p -138.99 161.61 36.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.23 145.11 4.78 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.465 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 t -132.32 173.55 11.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.896 0.379 . . . . 0.0 110.831 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -79.03 -50.51 10.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.31 56.07 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.461 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -81.94 97.33 8.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 110.889 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.86 -60.62 2.0 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.915 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -134.0 122.2 22.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -138.78 144.28 41.1 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.594 0.712 . . . . 0.0 111.063 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 164.01 36.09 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.717 2.278 . . . . 0.0 112.4 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 49.4 mtm-85 -102.02 -65.79 0.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.831 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -39.04 138.99 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 173.63 163.85 27.85 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.456 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.458 ' N ' ' OE1' ' A' ' 87' ' ' GLN . 4.2 m120 -112.14 -44.49 3.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.909 0.385 . . . . 0.0 110.884 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.7 m -84.44 150.48 25.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.464 HD11 ' CE2' ' A' ' 56' ' ' TYR . 10.3 mt -134.34 125.51 27.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.953 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -81.11 106.16 12.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.4 t -102.0 151.36 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.126 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.475 ' CD1' ' N ' ' A' ' 22' ' ' GLY . 11.0 t80 -133.33 148.05 51.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.475 ' N ' ' CD1' ' A' ' 21' ' ' TYR . . . -169.45 179.72 41.82 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.483 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -133.93 -44.97 0.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.883 0.373 . . . . 0.0 110.899 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -112.99 39.75 2.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.822 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.403 ' CG ' ' HA3' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -117.98 151.21 37.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.419 ' C ' ' HE2' ' A' ' 45' ' ' MET . 1.4 p -124.16 159.62 56.08 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.636 0.731 . . . . 0.0 111.116 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.418 ' N ' ' HE2' ' A' ' 45' ' ' MET . 64.9 Cg_exo -47.95 -65.22 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.665 2.243 . . . . 0.0 112.371 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 95.8 m -48.61 -30.08 4.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.7 tt -66.05 -48.69 70.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.7 mt -63.77 -31.41 72.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.469 ' HA ' ' CD1' ' A' ' 40' ' ' ILE . 50.7 mtt180 -56.82 -50.79 71.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.836 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.76 -7.24 88.66 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.462 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -97.8 -27.76 14.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.809 0.338 . . . . 0.0 111.089 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.434 ' CZ ' ' CD1' ' A' ' 69' ' ' LEU . 19.1 m-85 -96.91 -15.98 20.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.642 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 7.2 t -61.22 -42.15 84.13 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.687 0.756 . . . . 0.0 110.855 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 35' ' ' SER . 65.3 Cg_exo -48.0 -42.1 32.3 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.647 2.231 . . . . 0.0 112.326 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.535 ' CE2' ' HA ' ' A' ' 65' ' ' ALA . 92.4 m-85 -73.62 -39.42 64.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -178.16 -149.8 8.27 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.541 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -102.03 138.97 38.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.827 0.346 . . . . 0.0 110.887 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.469 ' CD1' ' HA ' ' A' ' 31' ' ' ARG . 54.7 mt -97.86 116.65 41.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.105 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.4 pt -102.13 -27.39 3.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.082 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -138.63 111.09 7.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.1 tp -135.46 106.5 6.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.2 t -119.5 141.21 49.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.419 ' HE2' ' C ' ' A' ' 26' ' ' THR . 0.4 OUTLIER -115.64 140.6 49.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.533 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 0.6 OUTLIER -117.33 95.27 47.1 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.611 0.72 . . . . 0.0 110.852 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.586 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 65.9 Cg_exo -47.99 -43.25 30.63 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.688 2.259 . . . . 0.0 112.294 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 63.7 Cg_exo -47.91 -62.89 0.37 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.357 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -95.45 13.32 26.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 42.65 41.93 2.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 56.9 m -112.8 -177.3 3.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -157.59 156.55 32.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.081 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -129.84 99.66 5.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 39.0 t -98.5 135.44 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.088 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.1 m -119.14 136.85 53.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.464 ' CE2' HD11 ' A' ' 18' ' ' LEU . 23.8 m-85 -104.33 140.76 37.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.936 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -55.32 -34.9 64.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 59' ' ' MET . 21.5 mmtp -120.39 114.16 21.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.442 ' O ' ' C ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -36.52 -37.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.848 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 59' ' ' MET . 9.5 mt-10 -34.81 -56.06 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 62' ' ' ALA . 53.5 m -56.81 -46.15 81.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.858 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 61' ' ' SER . . . -34.36 -60.4 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.096 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -63.99 -44.86 91.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -54.76 -67.17 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.535 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -47.25 -59.38 3.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.077 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.7 t -50.21 -21.3 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.137 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.23 -31.0 18.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -98.1 -59.2 1.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.434 ' CD1' ' CZ ' ' A' ' 34' ' ' PHE . 7.8 mt -55.92 -18.88 10.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -61.44 112.26 2.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.843 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 62.0 29.51 72.81 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.449 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.0 t -90.33 160.62 16.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.739 0.304 . . . . 0.0 111.146 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -120.34 96.63 5.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.6 m -116.04 138.66 45.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.129 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 56.78 26.51 11.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.6 t 70.49 29.5 3.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.3 t -137.7 115.53 13.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.099 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -70.32 112.67 6.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.0 mt -102.12 140.0 36.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.961 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.51 111.58 16.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.4 t -110.77 147.25 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.091 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -146.5 151.12 36.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.414 ' O ' ' C ' ' A' ' 84' ' ' ALA . 19.4 mm -70.02 94.57 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 83' ' ' ILE . . . -36.73 147.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.086 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.46 -54.03 6.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.1 mmtp -72.13 82.01 0.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.458 ' OE1' ' N ' ' A' ' 16' ' ' ASN . 25.3 mt-30 -128.5 79.98 73.27 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.586 0.708 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 179.53 3.65 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.659 2.239 . . . . 0.0 112.366 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 9.1 ptm -78.25 143.68 36.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.466 ' N ' HD21 ' A' ' 90' ' ' LEU . 4.3 mm? -109.54 -53.15 2.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.928 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -137.02 115.16 11.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 46.8 p -84.84 -59.34 2.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 69.05 146.7 0.19 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.467 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 162.71 41.03 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.684 2.256 . . . . 0.0 112.372 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 58.2 m -142.17 122.33 13.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.843 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.0 m -102.69 -58.8 1.81 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.851 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.496 179.98 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.947 0.403 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.4 m -84.81 156.12 21.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.162 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.78 HD21 ' HA ' ' A' ' 62' ' ' ALA . 6.7 mt -136.81 129.95 31.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -84.79 110.21 18.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.671 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 36.8 t -109.09 144.82 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -136.79 131.1 32.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.441 ' HA3' ' CG ' ' A' ' 25' ' ' MET . . . -142.74 -171.13 13.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.508 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -131.02 -49.33 1.02 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.814 0.34 . . . . 0.0 110.836 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -120.6 40.7 3.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.441 ' CG ' ' HA3' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -110.01 148.76 31.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.8 p -119.52 155.01 54.65 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.569 0.699 . . . . 0.0 111.178 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -47.92 -56.4 3.13 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.707 2.271 . . . . 0.0 112.327 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.7 m -52.55 -29.52 25.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.425 HD11 ' CB ' ' A' ' 75' ' ' GLU . 5.4 tt -69.07 -50.75 45.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.9 mt -59.35 -29.35 67.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.485 ' HG2' HD23 ' A' ' 43' ' ' LEU . 27.4 mtp180 -57.26 -47.65 80.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -87.46 -7.09 76.55 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.451 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.29 -34.19 14.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.852 0.358 . . . . 0.0 111.097 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.671 ' CZ ' HG21 ' A' ' 20' ' ' VAL . 29.9 m-85 -96.61 -20.03 18.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.852 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.583 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -58.89 -45.99 99.57 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.67 0.748 . . . . 0.0 110.861 -179.766 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.583 ' CD ' ' N ' ' A' ' 35' ' ' SER . 66.8 Cg_exo -48.08 -32.74 19.28 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.673 2.249 . . . . 0.0 112.31 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.521 ' CE1' ' HG ' ' A' ' 69' ' ' LEU . 87.7 m-85 -79.25 -38.65 35.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.07 -150.88 7.89 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.518 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -104.01 129.72 51.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.82 0.343 . . . . 0.0 110.87 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.474 HD11 ' HB2' ' A' ' 34' ' ' PHE . 58.7 mt -90.98 114.19 27.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.157 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 12.6 pt -101.11 -22.47 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -143.56 106.37 4.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.836 HD13 HG22 ' A' ' 54' ' ' VAL . 7.6 tp -130.27 111.54 12.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 m -126.44 144.9 50.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.766 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 1.2 mmt -121.13 141.57 50.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.55 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 47.4 m-20 -125.06 95.6 41.54 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.593 0.711 . . . . 0.0 110.845 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.588 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 64.2 Cg_exo -47.96 -43.38 30.19 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.696 2.264 . . . . 0.0 112.348 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 63.8 Cg_exo -47.91 -64.38 0.24 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.715 2.276 . . . . 0.0 112.369 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -87.78 1.19 54.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.6 m120 50.35 51.08 17.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 9.0 p -128.24 174.75 9.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.766 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -151.73 135.95 16.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.079 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -108.0 102.8 11.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.836 HG22 HD13 ' A' ' 43' ' ' LEU . 61.0 t -103.54 121.85 55.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 60.7 m -105.3 136.87 44.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.168 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.647 ' CD2' HD11 ' A' ' 18' ' ' LEU . 16.2 m-85 -103.01 144.16 31.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.917 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -57.4 -22.48 43.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm -128.3 162.61 26.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 13.7 ptp -83.3 -26.09 30.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.903 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -57.56 -36.72 72.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.44 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 32.9 m -70.36 -43.82 69.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.833 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.78 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -40.98 -54.45 2.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.086 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -67.24 -39.42 86.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.4 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 28.0 mt-30 -54.87 -66.49 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -47.42 -54.33 11.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.075 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 1.021 HG21 HD13 ' A' ' 83' ' ' ILE . 12.1 t -55.06 -18.78 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.105 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -90.29 -39.25 12.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -97.81 -58.94 1.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.521 ' HG ' ' CE1' ' A' ' 37' ' ' PHE . 10.0 mt -55.73 -14.9 2.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.44 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 1.2 t30 -70.47 114.67 8.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 66.97 19.94 70.27 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.489 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.616 HG23 HG13 ' A' ' 74' ' ' VAL . 2.7 t -87.33 147.66 25.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.707 0.289 . . . . 0.0 111.176 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -107.38 95.07 5.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.616 HG13 HG23 ' A' ' 72' ' ' THR . 3.4 m -109.4 140.5 27.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.425 ' CB ' HD11 ' A' ' 29' ' ' LEU . 19.8 mm-40 54.79 36.46 26.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 66.4 m 62.73 27.69 16.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.842 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 23.0 t -138.01 123.72 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.138 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -75.54 113.09 12.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 15.0 mt -100.33 132.31 45.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -111.4 104.32 12.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.514 HG21 ' HB3' ' A' ' 69' ' ' LEU . 15.9 t -102.81 147.13 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -150.77 159.08 44.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 1.021 HD13 HG21 ' A' ' 66' ' ' VAL . 12.9 mm -76.88 95.08 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.082 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.815 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.757 ' N ' HD21 ' A' ' 16' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.924 0.392 . . . . 0.0 110.922 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.414 ' O ' HD23 ' A' ' 18' ' ' LEU . 4.5 m -86.82 156.12 20.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.133 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.822 HD21 ' HA ' ' A' ' 62' ' ' ALA . 8.4 mt -134.78 128.71 33.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -84.24 110.3 18.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.95 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.642 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 22.4 t -107.7 146.1 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.153 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -134.26 134.21 41.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.407 ' HA3' ' CG ' ' A' ' 25' ' ' MET . . . -148.15 -175.14 20.55 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.5 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -132.81 -45.37 0.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.838 0.351 . . . . 0.0 110.91 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -122.17 42.4 3.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.407 ' CG ' ' HA3' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -113.63 154.35 27.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.9 p -125.84 155.45 72.81 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.553 0.692 . . . . 0.0 111.16 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -47.95 -63.93 0.28 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.708 2.272 . . . . 0.0 112.357 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.2 m -46.27 -30.96 2.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.554 HD21 ' HG3' ' A' ' 75' ' ' GLU . 5.9 tt -68.7 -48.11 64.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.946 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.8 mt -61.82 -30.01 70.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.7 mtp85 -58.05 -44.06 87.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -90.15 -4.52 71.48 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.462 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -97.32 -32.14 12.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.846 0.355 . . . . 0.0 111.076 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.642 ' CZ ' HG21 ' A' ' 20' ' ' VAL . 36.2 m-85 -96.57 -23.29 16.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.873 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.579 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -56.88 -46.05 99.9 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.687 0.756 . . . . 0.0 110.826 -179.797 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 35' ' ' SER . 65.2 Cg_exo -47.92 -21.84 2.93 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.725 2.283 . . . . 0.0 112.349 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -92.73 -38.13 11.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.24 -152.91 9.11 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.48 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -104.24 127.55 51.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.819 0.342 . . . . 0.0 110.898 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.508 HG21 ' HB2' ' A' ' 43' ' ' LEU . 46.6 mt -89.02 112.07 23.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.1 pt -97.19 -22.87 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.13 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -144.92 107.98 4.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.763 HD13 HG22 ' A' ' 54' ' ' VAL . 6.8 tp -128.43 111.13 12.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 59.1 p -123.23 137.46 54.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.852 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.83 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 1.9 mmm -118.91 134.04 55.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.543 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 4.0 m-20 -118.0 95.58 48.4 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.579 0.704 . . . . 0.0 110.879 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.594 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 66.0 Cg_exo -47.98 -43.36 30.34 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.688 2.259 . . . . 0.0 112.364 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.4 Cg_exo -47.96 -63.77 0.29 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.704 2.269 . . . . 0.0 112.402 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.2 mmp_? -86.51 -1.99 58.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 55.54 36.89 28.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.3 p -112.72 179.17 4.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.83 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -160.35 134.61 7.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.044 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -108.65 106.09 16.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.763 HG22 HD13 ' A' ' 43' ' ' LEU . 59.6 t -105.58 122.27 58.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.116 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 34.8 m -105.69 132.71 51.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.588 ' CD2' HD11 ' A' ' 18' ' ' LEU . 12.5 m-85 -99.37 147.0 25.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -58.58 -23.97 59.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.0 mmtt -128.56 168.8 15.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.9 ptm -81.6 -44.82 16.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.883 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -39.47 -47.16 1.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.437 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 37.9 m -57.17 -50.04 74.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.822 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -38.72 -60.86 0.78 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.14 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.36 -42.51 98.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.489 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 25.8 mt-30 -53.52 -66.04 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -49.23 -62.02 1.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.675 HG22 HG12 ' A' ' 81' ' ' VAL . 13.9 t -48.83 -20.92 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -85.42 -35.0 21.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.105 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -98.08 -57.63 2.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.638 HD12 ' CE2' ' A' ' 34' ' ' PHE . 10.1 mt -54.66 -16.61 2.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -63.93 112.69 3.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 64.6 17.54 62.53 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.45 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.625 HG23 HG13 ' A' ' 74' ' ' VAL . 1.3 t -80.99 150.19 29.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.733 0.301 . . . . 0.0 111.138 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -111.82 97.28 6.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.625 HG13 HG23 ' A' ' 72' ' ' THR . 3.3 m -114.61 141.69 30.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.554 ' HG3' HD21 ' A' ' 29' ' ' LEU . 5.8 mm-40 55.17 31.07 15.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.3 m 67.03 26.94 8.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.824 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 19.8 t -136.31 123.86 33.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.152 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -75.99 110.42 10.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.3 mt -98.6 137.06 37.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.3 mtmt -118.78 109.51 16.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.675 HG12 HG22 ' A' ' 66' ' ' VAL . 5.0 t -106.3 149.22 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -152.82 146.18 24.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.431 HG12 HG11 ' A' ' 66' ' ' VAL . 7.2 mm -69.79 100.45 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 179.772 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.612 ' N ' HD21 ' A' ' 16' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.896 0.379 . . . . 0.0 110.894 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.4 m -84.59 153.54 23.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.152 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.798 HD21 ' HA ' ' A' ' 62' ' ' ALA . 4.9 mt -134.9 134.22 40.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -85.04 109.49 18.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.553 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 18.5 t -105.51 146.56 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.114 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -139.19 130.23 26.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.932 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.441 ' HA3' ' CG ' ' A' ' 25' ' ' MET . . . -143.27 -177.46 18.25 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.496 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -125.2 -51.59 1.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.842 0.353 . . . . 0.0 110.884 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.437 ' O ' HG21 ' A' ' 77' ' ' VAL . 11.1 m-20 -117.96 45.25 2.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.441 ' CG ' ' HA3' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -115.36 160.09 20.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.7 p -130.48 155.74 80.64 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.603 0.716 . . . . 0.0 111.173 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_exo -47.87 -59.19 1.34 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.386 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 99.5 m -49.18 -33.59 12.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.455 HD23 ' O ' ' A' ' 29' ' ' LEU . 5.3 tt -66.02 -47.56 74.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.939 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.7 mt -61.82 -28.75 69.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -60.31 -44.01 95.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -90.29 -9.85 64.7 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.505 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.36 -33.86 15.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.805 0.336 . . . . 0.0 111.115 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.559 ' CE2' HD12 ' A' ' 69' ' ' LEU . 35.3 m-85 -95.4 -17.8 21.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.575 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -62.88 -46.16 87.58 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.687 0.756 . . . . 0.0 110.839 -179.797 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' ' 35' ' ' SER . 65.4 Cg_exo -48.02 -19.8 1.78 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.673 2.249 . . . . 0.0 112.316 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -89.82 -38.82 13.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -172.98 -127.77 1.0 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.491 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -125.02 136.01 53.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.799 0.333 . . . . 0.0 110.893 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.586 HG21 ' HB2' ' A' ' 43' ' ' LEU . 37.4 mt -98.58 104.92 16.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.102 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.1 pt -91.73 -18.57 7.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -150.49 107.78 3.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.825 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.86 HD13 HG22 ' A' ' 54' ' ' VAL . 10.8 tp -130.38 112.98 13.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.2 m -125.73 145.57 50.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.937 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 2.3 mmm -122.19 146.25 47.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.549 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 0.6 OUTLIER -128.98 95.66 31.0 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.566 0.698 . . . . 0.0 110.844 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.59 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 65.0 Cg_exo -48.05 -43.29 30.89 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.327 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.7 Cg_exo -48.03 -59.73 1.14 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.697 2.265 . . . . 0.0 112.339 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -91.9 3.6 54.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 48.87 41.09 17.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 25.7 p -117.94 175.88 5.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.937 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -153.57 135.93 14.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.097 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -108.77 106.35 16.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.86 HG22 HD13 ' A' ' 43' ' ' LEU . 49.2 t -105.11 122.03 57.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.115 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.5 m -106.1 129.65 54.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.175 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.552 ' CE2' HD11 ' A' ' 18' ' ' LEU . 21.0 m-85 -97.73 142.63 29.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -54.15 -26.71 29.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.865 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.429 ' HA ' ' NZ ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -127.07 168.14 15.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.3 ptp -82.65 -39.86 21.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -42.16 -42.21 2.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.519 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 21.6 m -63.95 -47.84 78.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.808 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.798 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -40.51 -58.86 1.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.073 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -62.77 -39.4 94.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.831 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.408 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 12.6 mt-30 -58.35 -67.4 0.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -45.7 -57.36 4.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.053 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.713 HG21 HD13 ' A' ' 83' ' ' ILE . 14.0 t -56.62 -18.02 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.118 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -90.1 -35.78 15.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -98.03 -58.36 2.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.559 HD12 ' CE2' ' A' ' 34' ' ' PHE . 9.4 mt -53.43 -38.26 63.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -39.74 116.73 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 55.93 35.74 64.61 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.455 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.448 HG22 ' O ' ' A' ' 69' ' ' LEU . 6.7 t -90.59 167.18 12.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.749 0.309 . . . . 0.0 111.123 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -127.47 95.99 4.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.4 m -118.13 143.15 29.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.446 ' CB ' HD11 ' A' ' 29' ' ' LEU . 46.8 mm-40 54.21 29.28 10.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.1 m 67.56 29.27 7.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.437 HG21 ' O ' ' A' ' 24' ' ' ASP . 43.7 t -137.49 120.73 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -71.74 112.54 7.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.5 mt -99.45 138.48 36.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.972 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.93 109.51 15.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.52 HG12 HG22 ' A' ' 66' ' ' VAL . 13.9 t -108.18 145.79 14.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -145.31 158.16 43.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.713 HD13 HG21 ' A' ' 66' ' ' VAL . 8.6 mm -77.18 97.24 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.833 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.542 ' ND2' ' O ' ' A' ' 56' ' ' TYR . 2.0 t-20 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.887 0.375 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.721 ' O ' HD23 ' A' ' 18' ' ' LEU . 1.4 m -85.28 156.22 21.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.733 HD21 ' HA ' ' A' ' 62' ' ' ALA . 10.8 mt -136.74 126.02 24.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.942 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -80.03 105.48 11.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.449 HG13 HG22 ' A' ' 81' ' ' VAL . 5.1 t -95.99 140.5 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.101 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -132.99 116.81 16.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.948 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -139.22 178.23 19.7 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.468 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.538 ' CD ' ' N ' ' A' ' 23' ' ' GLU . 2.7 mp0 -117.98 -70.5 0.79 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.889 0.376 . . . . 0.0 110.86 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -101.86 53.23 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.587 ' HG2' HD21 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -123.79 150.28 44.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.4 p -122.41 158.6 55.57 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.557 0.694 . . . . 0.0 111.123 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -47.99 -55.57 3.89 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.686 2.257 . . . . 0.0 112.321 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.8 m -47.34 -37.15 10.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.47 HD11 ' CB ' ' A' ' 75' ' ' GLU . 5.6 tt -66.24 -52.91 43.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.1 mt -58.11 -28.95 65.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.442 ' HA ' ' CD1' ' A' ' 40' ' ' ILE . 65.2 mtp85 -60.15 -46.68 88.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -87.66 -5.48 78.26 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.513 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.51 -31.71 12.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.357 . . . . 0.0 111.123 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.594 ' CE2' HD12 ' A' ' 69' ' ' LEU . 33.8 m-85 -96.19 -26.17 15.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.579 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -53.84 -46.23 98.56 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.707 0.765 . . . . 0.0 110.887 -179.787 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 35' ' ' SER . 64.8 Cg_exo -47.97 -32.17 17.41 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.682 2.254 . . . . 0.0 112.341 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -82.36 -38.45 24.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.48 -162.08 22.17 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.474 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -96.02 120.74 36.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.828 0.346 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.442 ' CD1' ' HA ' ' A' ' 31' ' ' ARG . 56.7 mt -81.47 109.44 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.7 pt -99.41 -30.12 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -136.52 107.13 6.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.726 HD13 HG22 ' A' ' 54' ' ' VAL . 6.7 tp -127.66 110.25 12.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 m -117.45 137.4 52.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.822 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.849 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 7.8 mmm -125.29 130.37 51.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.541 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 16.9 t70 -123.35 95.56 45.27 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.567 0.699 . . . . 0.0 110.793 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.584 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 66.1 Cg_exo -48.02 -43.31 30.67 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.67 2.247 . . . . 0.0 112.362 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.1 Cg_exo -47.92 -64.54 0.23 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.673 2.248 . . . . 0.0 112.343 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.62 -1.54 31.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 m120 52.75 44.22 30.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.7 p -144.86 175.51 10.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.849 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -152.94 171.12 18.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.073 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -134.4 100.9 4.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.868 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.726 HG22 HD13 ' A' ' 43' ' ' LEU . 63.6 t -95.37 126.18 47.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 59.3 m -107.25 144.36 34.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.542 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 13.8 m-85 -113.5 142.36 46.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.92 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 63.4 tt0 -55.17 -21.48 13.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -131.73 152.2 51.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -73.62 -23.36 59.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -58.77 -42.09 88.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.475 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 23.5 m -64.78 -34.41 78.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.733 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -49.14 -59.48 3.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.129 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -64.12 -34.87 79.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.471 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 22.2 mt-30 -60.6 -68.12 0.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -48.11 -54.82 11.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.768 HG21 HD13 ' A' ' 83' ' ' ILE . 5.5 t -54.81 -15.64 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -90.86 -35.78 14.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -98.0 -58.98 1.85 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.594 HD12 ' CE2' ' A' ' 34' ' ' PHE . 9.4 mt -54.65 -22.96 15.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.934 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.03 114.04 2.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 65.69 14.99 61.36 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.481 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.445 HG23 HG13 ' A' ' 74' ' ' VAL . 1.5 t -77.24 160.98 28.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.759 0.314 . . . . 0.0 111.094 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -124.43 94.99 4.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.445 HG13 HG23 ' A' ' 72' ' ' THR . 3.1 m -112.41 141.74 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.47 ' CB ' HD11 ' A' ' 29' ' ' LEU . 5.6 mm-40 55.08 32.08 17.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 48.7 m 64.46 30.27 13.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.865 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 94.9 t -137.29 111.86 9.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.161 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -67.88 110.1 3.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.587 HD21 ' HG2' ' A' ' 25' ' ' MET . 38.5 mt -100.56 140.84 34.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -121.15 106.27 11.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.449 HG22 HG13 ' A' ' 20' ' ' VAL . 6.0 t -106.92 137.86 35.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -140.99 155.76 46.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.768 HD13 HG21 ' A' ' 66' ' ' VAL . 17.5 mm -69.35 95.14 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.115 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 179.798 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.9 m120 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.904 0.383 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.403 HG23 ' OG1' ' A' ' 55' ' ' THR . 0.9 OUTLIER -85.14 147.36 26.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.868 HD21 ' HA ' ' A' ' 62' ' ' ALA . 7.4 mt -129.42 127.88 41.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -80.08 112.54 17.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.569 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 21.8 t -108.28 142.2 21.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.091 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -138.95 122.5 17.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -137.47 -176.74 14.6 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.544 ' CD ' ' N ' ' A' ' 23' ' ' GLU . 2.8 mp0 -117.02 -66.2 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.869 0.366 . . . . 0.0 110.871 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -107.51 51.12 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.552 ' HB3' HG11 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -117.62 151.77 36.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.9 p -121.43 155.54 59.0 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.604 0.716 . . . . 0.0 111.125 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.489 ' N ' ' HE2' ' A' ' 45' ' ' MET . 65.6 Cg_exo -48.03 -58.3 1.83 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.715 2.276 . . . . 0.0 112.328 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.2 m -50.25 -32.04 15.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.171 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.415 ' HG ' ' CD ' ' A' ' 75' ' ' GLU . 5.5 tt -66.19 -50.99 61.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.953 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.3 mt -59.0 -31.32 68.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.1 mtm180 -55.84 -44.2 77.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.842 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -89.78 -9.46 66.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.533 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.45 -33.85 16.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.801 0.334 . . . . 0.0 111.096 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.569 ' CZ ' HG21 ' A' ' 20' ' ' VAL . 19.4 m-85 -95.94 -24.59 16.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.573 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -55.88 -46.21 99.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.688 0.756 . . . . 0.0 110.829 -179.765 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.573 ' CD ' ' N ' ' A' ' 35' ' ' SER . 64.8 Cg_exo -47.96 -27.28 8.56 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.662 2.241 . . . . 0.0 112.342 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.564 ' HE1' HD21 ' A' ' 69' ' ' LEU . 76.8 m-85 -82.2 -35.35 28.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -175.24 -122.02 0.67 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.481 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -132.53 131.08 41.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.785 0.326 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.558 HD11 ' HB2' ' A' ' 34' ' ' PHE . 49.6 mt -92.53 115.1 30.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.3 pt -98.12 -28.9 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.166 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -139.34 107.7 5.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.638 HD13 HG22 ' A' ' 54' ' ' VAL . 5.7 tp -127.92 112.73 15.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.2 p -126.92 133.51 50.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.799 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 1.3 mmt -112.72 133.47 54.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.551 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 61.4 m-20 -115.37 95.61 43.35 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.631 0.729 . . . . 0.0 110.874 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.59 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 64.1 Cg_exo -47.96 -43.34 30.27 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.656 2.237 . . . . 0.0 112.358 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.2 Cg_exo -47.97 -64.8 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.658 2.239 . . . . 0.0 112.372 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 50' ' ' ASN . 7.7 mmm180 -87.36 17.9 4.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.913 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 49' ' ' ARG . 78.4 m-20 36.29 41.54 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 18.0 p -126.76 -178.59 4.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.799 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -157.2 167.09 31.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.115 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -134.62 103.78 5.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.638 HG22 HD13 ' A' ' 43' ' ' LEU . 47.9 t -101.09 125.62 55.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.403 ' OG1' HG23 ' A' ' 17' ' ' THR . 14.6 m -111.46 129.78 55.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.705 ' CD2' HD11 ' A' ' 18' ' ' LEU . 21.8 m-85 -96.65 149.28 21.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -67.31 -32.69 73.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -115.5 110.86 19.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.448 ' O ' ' N ' ' A' ' 62' ' ' ALA . 19.0 ptp -34.75 -48.17 0.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 59' ' ' MET . 12.2 pt-20 -35.22 -51.94 0.58 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.451 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 27.4 m -53.05 -44.61 67.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.839 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.868 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -36.93 -64.48 0.35 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.056 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.3 -44.35 95.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -48.65 -61.74 1.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -52.44 -63.25 1.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.545 HG22 HG12 ' A' ' 81' ' ' VAL . 11.9 t -51.82 -19.21 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.06 -38.58 16.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -98.04 -57.01 2.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.564 HD21 ' HE1' ' A' ' 37' ' ' PHE . 9.3 mt -53.07 -39.64 63.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 69' ' ' LEU . 1.1 t30 -37.38 116.54 0.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 53.87 41.14 66.66 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.489 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.486 HG23 HG13 ' A' ' 74' ' ' VAL . 7.2 t -96.41 156.43 16.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.766 0.317 . . . . 0.0 111.149 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -113.12 95.15 5.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.486 HG13 HG23 ' A' ' 72' ' ' THR . 2.0 m -118.01 139.48 45.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.415 ' CD ' ' HG ' ' A' ' 29' ' ' LEU . 13.2 mt-10 52.09 34.26 13.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 32.7 m 62.43 32.17 16.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.825 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.552 HG11 ' HB3' ' A' ' 25' ' ' MET . 50.9 t -138.53 115.5 11.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.143 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -70.33 108.92 4.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 15.5 mt -96.37 141.37 29.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -121.53 107.89 12.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.545 HG12 HG22 ' A' ' 66' ' ' VAL . 3.5 t -106.27 144.15 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -151.84 138.78 19.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.446 HG12 HG11 ' A' ' 66' ' ' VAL . 16.7 mm -65.8 97.83 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.111 179.801 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 56' ' ' TYR . 3.9 t-20 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.939 0.399 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.784 ' O ' HD23 ' A' ' 18' ' ' LEU . 2.0 m -86.28 156.18 20.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.839 HD21 ' HA ' ' A' ' 62' ' ' ALA . 10.7 mt -140.28 124.89 18.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -82.07 104.44 12.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.571 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 38.3 t -97.05 149.39 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.173 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -140.78 131.62 25.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.922 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.447 ' HA3' ' CG ' ' A' ' 25' ' ' MET . . . -147.78 -177.14 21.94 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.471 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -127.46 -49.2 1.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.803 0.335 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -118.55 43.82 2.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.447 ' CG ' ' HA3' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -115.51 154.16 29.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.6 p -125.82 156.79 70.76 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.586 0.708 . . . . 0.0 111.131 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.446 ' N ' ' HE2' ' A' ' 45' ' ' MET . 64.4 Cg_exo -47.97 -60.11 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.683 2.255 . . . . 0.0 112.386 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.4 m -48.67 -30.65 5.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.167 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.596 HD21 ' HG3' ' A' ' 75' ' ' GLU . 6.0 tt -69.64 -53.0 20.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.1 mt -58.62 -27.3 64.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.914 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 31' ' ' ARG . 7.8 mtp-105 -62.48 -44.97 95.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -87.32 -7.15 76.94 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.481 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.411 ' C ' ' HD2' ' A' ' 36' ' ' PRO . . . -96.3 -35.44 11.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.832 0.349 . . . . 0.0 111.112 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.571 ' CZ ' HG21 ' A' ' 20' ' ' VAL . 29.9 m-85 -92.23 -20.26 21.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.847 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.579 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -60.08 -46.09 97.97 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.649 0.737 . . . . 0.0 110.832 -179.776 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 35' ' ' SER . 63.9 Cg_exo -47.96 -25.26 6.09 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.633 2.222 . . . . 0.0 112.376 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.505 ' HE1' HD21 ' A' ' 69' ' ' LEU . 82.8 m-85 -87.01 -28.4 22.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 177.77 -137.44 3.4 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -119.21 127.82 53.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.758 0.314 . . . . 0.0 110.896 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.458 HG21 ' HB2' ' A' ' 43' ' ' LEU . 38.4 mt -89.99 106.86 17.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.8 pt -93.93 -22.32 5.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -145.5 111.64 5.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 1.017 HD13 HG22 ' A' ' 54' ' ' VAL . 20.4 tp -135.3 109.17 8.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.3 m -117.08 134.2 55.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.716 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 2.3 mmm -116.6 129.22 56.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.541 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 1.6 m-20 -120.66 95.65 48.95 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.637 0.732 . . . . 0.0 110.857 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.582 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 65.1 Cg_exo -47.98 -43.28 30.55 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.701 2.267 . . . . 0.0 112.348 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.6 Cg_exo -48.04 -51.51 9.84 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.68 2.253 . . . . 0.0 112.335 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 66.3 mmt-85 -96.41 12.73 30.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.6 m120 38.98 36.82 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 26.3 p -132.56 171.51 13.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.716 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -150.42 165.38 33.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -127.94 102.09 6.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 1.017 HG22 HD13 ' A' ' 43' ' ' LEU . 65.6 t -98.33 123.51 50.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.158 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.9 m -107.63 135.96 48.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.519 ' CE2' HD11 ' A' ' 18' ' ' LEU . 15.0 m-85 -103.79 142.48 34.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -52.9 -35.62 58.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.3 167.37 10.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 9.8 ptp -83.48 -35.35 24.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -47.46 -50.9 21.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.505 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 67.2 m -51.35 -49.88 60.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.839 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -37.95 -58.95 0.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.099 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.05 -37.93 89.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.448 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 24.7 mt-30 -57.79 -66.9 0.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -47.28 -55.98 7.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.912 HG21 HD13 ' A' ' 83' ' ' ILE . 13.7 t -53.51 -17.34 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.07 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -91.2 -39.52 12.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -97.91 -58.39 2.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.606 ' HB3' HG21 ' A' ' 81' ' ' VAL . 9.1 mt -56.67 -13.15 2.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.405 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -70.85 115.86 10.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 179.894 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 65.92 13.83 60.05 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.519 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.608 HG23 HG13 ' A' ' 74' ' ' VAL . 1.3 t -78.43 153.35 31.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.751 0.31 . . . . 0.0 111.16 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -114.8 95.07 5.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.608 HG13 HG23 ' A' ' 72' ' ' THR . 3.2 m -110.93 141.59 25.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.099 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.596 ' HG3' HD21 ' A' ' 29' ' ' LEU . 5.8 mm-40 54.51 34.96 22.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.0 m 62.43 28.87 17.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.821 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 70.6 t -138.04 117.61 15.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -68.92 107.31 3.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 79' ' ' LEU . 10.9 mt -94.15 130.13 40.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.57 108.33 18.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.909 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.606 HG21 ' HB3' ' A' ' 69' ' ' LEU . 3.6 t -109.14 135.27 48.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -138.25 155.3 48.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.912 HD13 HG21 ' A' ' 66' ' ' VAL . 13.9 mm -69.82 96.17 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.158 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.822 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.541 ' N ' HD21 ' A' ' 16' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.926 0.393 . . . . 0.0 110.904 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.6 m -86.19 155.71 20.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.662 HD22 HG23 ' A' ' 66' ' ' VAL . 10.7 mt -139.91 127.4 21.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.469 ' HB3' ' ND2' ' A' ' 82' ' ' ASN . 29.4 t80 -85.71 111.64 20.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.669 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 42.1 t -102.63 151.28 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.12 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.455 ' CD1' ' N ' ' A' ' 22' ' ' GLY . 10.3 t80 -133.4 145.49 50.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.455 ' N ' ' CD1' ' A' ' 21' ' ' TYR . . . -165.12 -179.97 39.34 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.505 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -133.47 -39.88 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.35 . . . . 0.0 110.841 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -124.48 41.16 3.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.439 ' HG2' HD21 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -115.35 157.54 23.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 47.8 p -130.9 155.64 81.19 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.598 0.713 . . . . 0.0 111.114 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -48.01 -57.24 2.46 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.682 2.255 . . . . 0.0 112.322 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 52.1 m -46.85 -34.04 5.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.118 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.523 HD11 ' CB ' ' A' ' 75' ' ' GLU . 5.6 tt -69.91 -50.34 43.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.511 HD11 ' SD ' ' A' ' 45' ' ' MET . 9.6 mt -59.38 -26.48 65.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -63.52 -43.56 96.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -90.93 -5.23 68.42 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.512 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.9 -35.51 10.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.79 0.329 . . . . 0.0 111.071 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.696 ' CE2' HD12 ' A' ' 69' ' ' LEU . 42.1 m-85 -93.5 -21.19 19.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.584 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -58.99 -45.94 99.55 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.645 0.736 . . . . 0.0 110.844 -179.774 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 35' ' ' SER . 66.1 Cg_exo -48.0 -33.98 21.8 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.73 2.287 . . . . 0.0 112.306 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.406 ' CZ ' ' HB2' ' A' ' 68' ' ' GLU . 88.1 m-85 -78.93 -36.3 41.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -178.09 -165.13 32.43 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.477 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -89.33 130.9 35.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.777 0.322 . . . . 0.0 110.902 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.445 HG21 ' HB2' ' A' ' 43' ' ' LEU . 60.4 mt -93.15 110.55 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 14.1 pt -95.88 -25.71 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.144 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -142.1 111.74 6.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.915 HD13 HG22 ' A' ' 54' ' ' VAL . 9.8 tp -133.41 111.21 10.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.944 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.4 p -122.04 141.38 51.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.878 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 2.8 mmm -123.22 135.05 54.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.542 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 9.7 m-20 -120.18 95.52 49.1 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.54 0.686 . . . . 0.0 110.886 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.596 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 64.4 Cg_exo -47.95 -43.39 30.09 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.7 2.267 . . . . 0.0 112.329 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 64.6 Cg_exo -47.9 -58.31 1.82 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 51' ' ' CYS . 8.4 mmt85 -92.48 15.72 13.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 38.65 30.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.412 ' N ' ' O ' ' A' ' 49' ' ' ARG . 72.6 m -116.25 -177.33 3.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.878 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -159.97 175.77 12.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.501 ' CD1' ' C ' ' A' ' 52' ' ' ALA . 1.5 m-85 -146.49 108.77 4.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.915 HG22 HD13 ' A' ' 43' ' ' LEU . 49.0 t -106.81 133.97 49.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.4 m -112.82 140.82 47.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.592 ' CD2' ' HB3' ' A' ' 61' ' ' SER . 20.7 m-85 -109.08 141.66 40.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -58.62 -23.29 58.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 33.8 mttm -122.22 169.8 10.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.842 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.8 ptp -84.57 -46.84 11.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -42.37 -42.95 3.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.592 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 36.4 m -58.59 -48.8 79.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.643 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -44.8 -56.91 4.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.15 -45.09 86.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.833 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.523 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 18.3 mt-30 -52.6 -65.46 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -46.89 -62.29 1.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.087 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.693 HG21 HD13 ' A' ' 83' ' ' ILE . 9.8 t -50.35 -18.39 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.168 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -87.47 -35.13 18.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.076 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.406 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 10.4 mt-10 -98.13 -58.28 2.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.696 HD12 ' CE2' ' A' ' 34' ' ' PHE . 8.9 mt -53.39 -26.49 19.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -52.33 117.02 2.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 56.65 22.15 38.52 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.453 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.581 HG23 HG13 ' A' ' 74' ' ' VAL . 1.3 t -81.18 155.21 26.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.787 0.327 . . . . 0.0 111.135 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -116.85 95.39 4.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.581 HG13 HG23 ' A' ' 72' ' ' THR . 3.3 m -114.31 142.22 27.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.117 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.523 ' CB ' HD11 ' A' ' 29' ' ' LEU . 8.5 mm-40 54.37 34.78 21.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.7 m 63.59 29.97 15.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 41.4 t -138.02 121.6 20.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.089 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -76.09 102.64 5.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.439 HD21 ' HG2' ' A' ' 25' ' ' MET . 29.0 mt -92.43 141.78 28.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.4 ttmm -122.73 112.0 17.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.431 HG12 HG22 ' A' ' 66' ' ' VAL . 4.2 t -109.96 145.27 16.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.469 ' ND2' ' HB3' ' A' ' 19' ' ' TYR . 2.3 p30 -147.83 151.38 35.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.693 HD13 HG21 ' A' ' 66' ' ' VAL . 10.9 mm -72.55 94.7 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.077 179.833 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.898 0.38 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.667 ' O ' HD23 ' A' ' 18' ' ' LEU . 2.8 m -84.16 151.99 24.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.667 HD23 ' O ' ' A' ' 17' ' ' THR . 10.3 mt -137.41 126.26 24.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -80.98 118.67 22.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.95 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.472 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 4.6 t -114.04 142.63 26.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.136 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -133.43 124.66 27.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.416 ' HA3' ' CG ' ' A' ' 25' ' ' MET . . . -138.78 -175.61 14.09 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.522 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -131.57 -42.25 1.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.914 0.387 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.526 ' O ' HG21 ' A' ' 77' ' ' VAL . 0.9 OUTLIER -122.74 43.48 2.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.416 ' CG ' ' HA3' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -118.96 151.9 37.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.8 p -121.97 158.21 55.57 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.541 0.686 . . . . 0.0 111.165 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -48.01 -55.47 3.99 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.657 2.238 . . . . 0.0 112.353 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.9 m -57.77 -30.55 65.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.164 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.441 ' CG ' ' HG3' ' A' ' 75' ' ' GLU . 6.0 tt -65.27 -47.5 76.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.435 HD11 ' CE ' ' A' ' 45' ' ' MET . 12.0 mt -64.0 -30.27 71.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.0 mtp180 -56.21 -41.05 74.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -92.37 -6.0 64.85 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.531 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.31 -33.66 13.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 0.0 111.105 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.637 ' CE2' HD12 ' A' ' 69' ' ' LEU . 35.0 m-85 -95.78 -29.31 14.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.575 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -51.34 -45.95 89.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.637 0.732 . . . . 0.0 110.841 -179.756 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' ' 35' ' ' SER . 64.8 Cg_exo -48.02 -20.56 2.18 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.708 2.272 . . . . 0.0 112.343 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -91.79 -35.78 13.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.67 -137.19 2.41 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -117.59 123.16 45.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.753 0.311 . . . . 0.0 110.89 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.586 HG21 ' HB2' ' A' ' 43' ' ' LEU . 49.9 mt -83.89 105.44 13.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.198 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.2 pt -91.05 -16.7 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -151.42 111.02 4.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.821 HD13 HG22 ' A' ' 54' ' ' VAL . 10.6 tp -133.81 109.68 9.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.9 t -120.29 148.54 43.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.435 ' CE ' HD11 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -125.49 141.86 51.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.548 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 42.1 m-20 -130.07 95.48 28.08 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.622 0.725 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.592 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 64.8 Cg_exo -47.93 -43.27 30.28 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.658 2.239 . . . . 0.0 112.41 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.592 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.6 Cg_exo -48.0 -65.32 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.705 2.27 . . . . 0.0 112.317 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.8 mmm-85 -85.98 0.8 52.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 49.92 50.51 18.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 26.4 p -134.35 175.42 9.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.413 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -153.82 152.34 30.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -117.15 102.73 9.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.899 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.821 HG22 HD13 ' A' ' 43' ' ' LEU . 66.4 t -101.6 117.53 47.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.089 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 53.2 m -106.03 135.26 47.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.402 ' CD2' HD11 ' A' ' 18' ' ' LEU . 29.4 m-85 -101.76 145.93 28.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -60.42 -18.36 50.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -129.18 157.31 42.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.418 ' HG2' ' N ' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -77.9 -29.66 50.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.897 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.418 ' N ' ' HG2' ' A' ' 59' ' ' MET . 2.5 pt-20 -59.36 -33.95 71.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.5 m -70.97 -36.59 72.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.866 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.575 ' HB1' HD21 ' A' ' 18' ' ' LEU . . . -53.58 -53.78 46.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.12 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.419 ' CG ' ' N ' ' A' ' 64' ' ' GLN . 0.2 OUTLIER -64.4 -47.42 79.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.476 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 32.9 mt-30 -51.55 -64.35 0.84 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -46.14 -61.97 1.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.098 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.527 HG21 HD13 ' A' ' 83' ' ' ILE . 12.9 t -51.1 -20.19 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -87.13 -35.89 18.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -98.03 -58.09 2.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.637 HD12 ' CE2' ' A' ' 34' ' ' PHE . 8.7 mt -54.81 -20.99 9.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.445 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -63.15 118.65 8.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.931 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 65.78 13.03 58.48 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.561 HG23 HG13 ' A' ' 74' ' ' VAL . 1.1 t -75.43 158.69 32.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.788 0.328 . . . . 0.0 111.138 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -120.7 95.0 4.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.561 HG13 HG23 ' A' ' 72' ' ' THR . 3.2 m -112.0 141.86 26.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.441 ' HG3' ' CG ' ' A' ' 29' ' ' LEU . 5.2 mm-40 52.07 39.45 26.51 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.7 m 58.57 29.01 17.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.526 HG21 ' O ' ' A' ' 24' ' ' ASP . 95.1 t -138.16 118.05 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.153 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -69.52 111.36 5.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.7 mt -95.1 133.03 39.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -114.08 106.64 14.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.527 HG12 HG22 ' A' ' 66' ' ' VAL . 14.0 t -105.45 149.55 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -152.79 149.16 28.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.527 HD13 HG21 ' A' ' 66' ' ' VAL . 9.2 mm -68.92 95.3 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.131 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 83' ' ' ILE . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.061 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.535 ' ND2' ' O ' ' A' ' 56' ' ' TYR . 1.9 t-20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.936 0.398 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.865 ' O ' HD23 ' A' ' 18' ' ' LEU . 3.0 m -86.03 156.16 20.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.13 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.865 HD23 ' O ' ' A' ' 17' ' ' THR . 11.1 mt -138.42 127.05 23.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -83.85 102.46 12.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.956 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.537 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 41.7 t -96.14 145.87 8.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.163 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -135.62 132.74 37.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.97 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.422 ' HA3' ' CG ' ' A' ' 25' ' ' MET . . . -151.55 178.97 28.56 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.435 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -126.35 -48.75 1.56 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.868 0.366 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -118.8 45.96 1.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.422 ' CG ' ' HA3' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -115.18 157.87 23.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.1 p -129.33 153.99 80.59 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.57 0.7 . . . . 0.0 111.109 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_exo -47.98 -62.56 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.682 2.255 . . . . 0.0 112.325 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 86.4 m -45.9 -31.45 2.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.414 HD11 ' CB ' ' A' ' 75' ' ' GLU . 5.6 tt -69.38 -49.25 57.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.2 mt -61.09 -30.58 70.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.932 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.461 ' HA ' ' CD1' ' A' ' 40' ' ' ILE . 13.6 mtp85 -58.02 -44.41 87.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -89.38 -11.07 64.93 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.499 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.69 -32.62 16.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.802 0.334 . . . . 0.0 111.128 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.537 ' CZ ' HG21 ' A' ' 20' ' ' VAL . 28.1 m-85 -95.36 -28.03 15.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.93 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.574 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -52.51 -46.09 95.44 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.672 0.749 . . . . 0.0 110.871 -179.776 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 35' ' ' SER . 64.5 Cg_exo -47.97 -21.43 2.69 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.671 2.247 . . . . 0.0 112.339 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -91.9 -29.31 16.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 177.99 -139.76 4.35 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.523 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -115.05 122.28 45.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.748 0.309 . . . . 0.0 110.962 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.516 HG21 ' HB2' ' A' ' 43' ' ' LEU . 35.9 mt -83.34 105.4 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.086 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.5 pt -94.34 -21.01 5.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.152 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -143.77 106.04 4.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.881 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.728 HD13 HG22 ' A' ' 54' ' ' VAL . 6.9 tp -130.75 111.62 12.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.538 ' O ' ' HB1' ' A' ' 52' ' ' ALA . 9.1 t -121.53 145.59 47.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.637 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 1.8 mmt -130.62 135.91 48.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.535 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 16.0 t0 -132.64 95.54 19.89 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.592 0.71 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.582 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 64.3 Cg_exo -47.91 -43.36 29.92 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.696 2.264 . . . . 0.0 112.34 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 64.8 Cg_exo -47.93 -63.24 0.33 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.698 2.265 . . . . 0.0 112.35 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.8 mmt85 -79.91 -0.87 36.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 m120 50.49 47.1 24.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.5 p -147.96 170.82 16.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.637 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -150.03 168.37 24.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -131.66 108.01 9.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.728 HG22 HD13 ' A' ' 43' ' ' LEU . 65.7 t -104.09 134.53 45.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 51.2 m -117.69 149.97 39.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.171 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.535 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 21.7 m-85 -118.46 141.12 48.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -58.97 -16.28 17.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -136.34 112.61 9.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.461 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 10.6 ptp -37.81 -42.37 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 59' ' ' MET . 16.3 pt-20 -37.09 -51.97 0.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.929 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 72.6 m -57.93 -40.4 80.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.574 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -40.82 -57.4 1.95 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.127 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.421 ' C ' ' OD1' ' A' ' 63' ' ' ASP . 1.6 t0 -65.73 -40.13 91.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.483 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 27.8 mt-30 -54.5 -65.76 0.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -46.78 -57.93 4.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.087 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.565 HG21 HG12 ' A' ' 83' ' ' ILE . 14.6 t -52.75 -18.69 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -87.75 -37.91 16.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.068 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -97.75 -58.97 1.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.534 HD12 ' CE2' ' A' ' 34' ' ' PHE . 10.4 mt -52.33 -32.47 38.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -50.22 117.3 2.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 58.67 26.41 60.01 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.517 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.629 HG23 HG13 ' A' ' 74' ' ' VAL . 1.4 t -88.4 155.29 19.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.712 0.291 . . . . 0.0 111.166 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -114.66 95.72 5.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.629 HG13 HG23 ' A' ' 72' ' ' THR . 3.6 m -113.66 140.11 35.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.09 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.414 ' CB ' HD11 ' A' ' 29' ' ' LEU . 5.6 mm-40 54.56 30.7 13.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 t 68.51 29.99 5.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 39.5 t -138.34 116.99 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.12 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -71.93 100.45 2.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.8 mt -89.91 136.98 32.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 27.1 mttm -119.28 108.78 15.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.466 HG22 HG22 ' A' ' 20' ' ' VAL . 4.6 t -110.5 140.14 30.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.142 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -145.04 141.84 29.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.565 HG12 HG21 ' A' ' 66' ' ' VAL . 6.1 mm -66.38 109.26 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.119 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.138 179.794 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.959 0.409 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.3 m -84.6 153.66 23.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.789 HD21 ' HA ' ' A' ' 62' ' ' ALA . 7.3 mt -136.5 127.69 28.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -81.61 108.11 14.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.631 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 16.8 t -106.64 143.3 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.123 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.419 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 5.3 t80 -137.83 127.53 25.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.401 ' HA3' ' CG ' ' A' ' 25' ' ' MET . . . -138.84 -165.74 10.37 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.495 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -132.23 -56.4 0.97 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.891 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -114.15 41.58 2.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.457 ' HG2' ' CD2' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -109.95 151.79 26.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.6 p -124.6 156.91 67.22 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.663 0.744 . . . . 0.0 111.116 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -47.97 -62.56 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.661 2.241 . . . . 0.0 112.342 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 94.2 m -46.71 -34.18 4.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.167 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.447 HD23 ' O ' ' A' ' 29' ' ' LEU . 5.5 tt -66.79 -47.76 71.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.6 mt -61.12 -30.76 70.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.7 mtp180 -59.19 -41.11 87.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -91.35 -7.49 65.27 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.459 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.14 -34.55 13.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.81 0.338 . . . . 0.0 111.083 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.631 ' CZ ' HG21 ' A' ' 20' ' ' VAL . 36.9 m-85 -94.41 -22.75 18.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.572 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -58.37 -46.09 99.65 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.631 0.729 . . . . 0.0 110.856 -179.799 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 35' ' ' SER . 64.2 Cg_exo -47.9 -19.16 1.36 Allowed 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.691 2.26 . . . . 0.0 112.381 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.469 ' HE1' HD21 ' A' ' 69' ' ' LEU . 82.7 m-85 -91.36 -37.07 13.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.25 -129.4 1.17 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.508 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -123.82 133.77 53.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.81 0.338 . . . . 0.0 110.901 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.487 HG21 ' HB2' ' A' ' 43' ' ' LEU . 33.5 mt -96.7 113.72 31.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.082 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.5 pt -99.51 -24.01 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -141.67 107.75 5.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.714 HD13 HG22 ' A' ' 54' ' ' VAL . 8.1 tp -129.9 110.15 11.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.3 t -129.76 134.8 47.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.828 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.827 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 0.8 OUTLIER -107.32 151.45 25.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.87 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.544 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 16.7 t70 -129.18 95.6 30.53 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.586 0.708 . . . . 0.0 110.845 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.596 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 65.1 Cg_exo -47.96 -43.42 30.05 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.753 2.302 . . . . 0.0 112.297 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 64.0 Cg_exo -47.93 -65.2 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.698 2.265 . . . . 0.0 112.359 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -89.59 12.36 16.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.0 m120 40.85 44.06 1.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 7.5 p -120.68 -177.92 3.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.827 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -156.79 148.53 22.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.083 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -119.64 102.77 8.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.714 HG22 HD13 ' A' ' 43' ' ' LEU . 45.8 t -101.65 115.2 42.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.148 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.3 m -97.32 139.79 32.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.543 ' CE2' HD11 ' A' ' 18' ' ' LEU . 14.5 m-85 -107.57 142.16 37.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -58.64 -19.9 43.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -128.15 166.55 18.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.25 -21.05 27.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.834 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -61.39 -45.02 96.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.48 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 48.9 m -59.76 -48.5 81.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.789 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -40.31 -60.9 0.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.089 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -63.26 -41.0 98.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.436 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 9.0 mt-30 -55.43 -67.21 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -47.23 -59.98 2.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 1.027 HG21 HD13 ' A' ' 83' ' ' ILE . 17.5 t -47.99 -21.68 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -88.75 -36.84 15.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.065 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -97.58 -58.44 2.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.604 HD12 ' CE2' ' A' ' 34' ' ' PHE . 9.8 mt -54.93 -17.12 3.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -65.89 118.36 9.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 61.17 18.01 53.85 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.492 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.594 HG23 HG13 ' A' ' 74' ' ' VAL . 1.3 t -82.56 153.62 25.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.743 0.306 . . . . 0.0 111.124 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -114.9 95.12 5.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.594 HG13 HG23 ' A' ' 72' ' ' THR . 3.2 m -109.71 140.69 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.405 ' HG3' HD21 ' A' ' 29' ' ' LEU . 8.6 mm-40 55.39 29.1 12.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.4 p 68.92 29.3 5.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 43.1 t -138.24 118.91 16.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.132 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -73.42 112.79 9.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.457 ' CD2' ' HG2' ' A' ' 25' ' ' MET . 46.8 mt -102.52 140.55 36.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -118.19 106.11 12.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.515 HG22 HG22 ' A' ' 20' ' ' VAL . 16.7 t -104.69 145.87 12.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -147.08 155.58 42.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 1.027 HD13 HG21 ' A' ' 66' ' ' VAL . 14.6 mm -73.14 94.87 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.091 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.092 179.789 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.905 0.383 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.569 ' O ' HD23 ' A' ' 18' ' ' LEU . 9.1 m -88.73 156.16 19.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.848 HD21 ' HA ' ' A' ' 62' ' ' ALA . 8.8 mt -139.34 128.28 23.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -81.35 108.87 15.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.659 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 21.5 t -108.68 146.56 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.129 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -143.09 118.08 10.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.42 -174.92 13.83 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.514 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.548 ' CD ' ' N ' ' A' ' 23' ' ' GLU . 2.8 mp0 -117.36 -70.32 0.8 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.855 0.36 . . . . 0.0 110.868 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -103.5 52.68 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.508 ' HG2' HD21 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -120.41 149.52 42.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.7 p -120.06 156.44 54.62 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.617 0.723 . . . . 0.0 111.107 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_exo -47.99 -53.04 7.22 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.648 2.232 . . . . 0.0 112.346 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 59.8 m -55.62 -33.38 63.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.122 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 29' ' ' LEU . 5.7 tt -65.17 -47.14 78.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.8 mt -62.32 -31.47 72.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.517 ' HG2' HD23 ' A' ' 43' ' ' LEU . 42.4 mtt-85 -56.04 -43.12 77.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.859 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -90.93 -4.5 69.23 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.07 -32.78 12.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.854 0.359 . . . . 0.0 111.098 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.659 ' CZ ' HG21 ' A' ' 20' ' ' VAL . 23.8 m-85 -95.46 -26.63 15.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.586 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -51.62 -46.03 91.11 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.661 0.743 . . . . 0.0 110.846 -179.756 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 35' ' ' SER . 66.1 Cg_exo -48.0 -37.75 30.4 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.697 2.264 . . . . 0.0 112.318 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.433 ' HE1' HD21 ' A' ' 69' ' ' LEU . 93.3 m-85 -76.42 -37.79 56.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.08 -166.55 32.37 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.504 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -92.54 117.35 29.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.353 . . . . 0.0 110.85 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.439 HG21 ' HB2' ' A' ' 43' ' ' LEU . 33.4 mt -76.33 114.34 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.1 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.449 HG21 ' OE1' ' A' ' 57' ' ' GLU . 13.1 pt -101.47 -18.9 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.163 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -149.03 108.43 3.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.963 HD13 HG22 ' A' ' 54' ' ' VAL . 12.8 tp -134.6 113.18 11.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.4 m -127.02 145.5 50.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.752 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 0.9 OUTLIER -121.46 136.04 54.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.542 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 4.5 m-20 -122.09 95.68 47.2 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.612 0.72 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.585 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 65.1 Cg_exo -47.97 -43.31 30.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.671 2.247 . . . . 0.0 112.349 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.6 Cg_exo -48.01 -32.74 18.87 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.705 2.27 . . . . 0.0 112.319 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.6 mmm-85 -120.94 14.58 11.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.1 m120 36.54 37.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 27.4 p -122.63 170.09 10.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.752 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -145.52 157.84 43.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -127.55 101.2 6.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.963 HG22 HD13 ' A' ' 43' ' ' LEU . 45.6 t -98.31 125.63 51.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.177 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.9 m -108.81 136.61 48.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.622 ' CD2' HD11 ' A' ' 18' ' ' LEU . 28.4 m-85 -107.17 144.44 33.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.449 ' OE1' HG21 ' A' ' 41' ' ' ILE . 7.8 tp10 -60.24 -34.59 73.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.9 148.73 31.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.32 -25.93 63.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.835 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -57.76 -44.11 85.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.466 ' HB2' ' CB ' ' A' ' 56' ' ' TYR . 50.7 m -59.22 -48.66 80.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.848 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -40.97 -56.35 2.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.043 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -67.61 -42.62 82.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.458 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 20.3 mt-30 -55.34 -67.65 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -45.0 -57.49 3.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.12 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.733 HG21 HD13 ' A' ' 83' ' ' ILE . 15.9 t -53.79 -21.53 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -84.41 -37.01 21.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.413 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 10.4 mt-10 -97.6 -58.34 2.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 65' ' ' ALA . 8.6 mt -52.43 -22.87 5.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -59.11 115.77 3.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 59.27 25.81 60.72 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.526 HG23 HG13 ' A' ' 74' ' ' VAL . 1.9 t -86.25 159.22 19.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.767 0.318 . . . . 0.0 111.178 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -118.84 95.17 4.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.526 HG13 HG23 ' A' ' 72' ' ' THR . 3.7 m -112.71 139.93 35.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 54.55 33.74 19.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 48.1 m 64.83 29.82 12.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 49.5 t -138.48 124.17 24.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.179 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -77.51 112.93 14.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.96 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.508 HD21 ' HG2' ' A' ' 25' ' ' MET . 14.4 mt -100.79 138.12 38.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.942 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -116.81 106.67 13.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.565 HG13 HG22 ' A' ' 20' ' ' VAL . 6.3 t -106.6 149.85 9.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.14 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 43.0 m-20 -152.82 150.26 29.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.733 HD13 HG21 ' A' ' 66' ' ' VAL . 15.8 mm -67.95 97.14 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.167 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.067 179.828 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.436 ' N ' HD21 ' A' ' 16' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.951 0.405 . . . . 0.0 110.916 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.7 m -84.33 149.36 26.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.171 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.753 HD11 ' CD2' ' A' ' 56' ' ' TYR . 7.7 mt -132.76 128.8 37.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -82.56 110.71 17.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.547 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 17.3 t -103.51 147.03 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.12 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.506 ' HD1' ' HG ' ' A' ' 51' ' ' CYS . 8.5 t80 -137.55 139.61 40.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.409 ' HA3' ' CG ' ' A' ' 25' ' ' MET . . . -158.64 178.7 34.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.455 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.542 ' CD ' ' N ' ' A' ' 23' ' ' GLU . 2.8 mp0 -119.1 -61.15 1.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.881 0.372 . . . . 0.0 110.896 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -109.96 50.6 0.79 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.468 ' HG2' HD21 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -120.8 150.31 41.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.6 p -122.1 158.52 55.02 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.538 0.685 . . . . 0.0 111.16 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -47.95 -61.68 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.69 2.26 . . . . 0.0 112.363 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 94.7 m -44.56 -35.88 2.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.451 HD11 ' CB ' ' A' ' 75' ' ' GLU . 6.1 tt -65.14 -53.23 48.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.5 mt -56.43 -31.62 64.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.442 ' HG2' HD23 ' A' ' 43' ' ' LEU . 35.7 mtp180 -58.72 -40.57 84.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -91.56 -5.35 67.0 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.494 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.7 -33.82 12.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.803 0.335 . . . . 0.0 111.103 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.669 ' CE2' HD12 ' A' ' 69' ' ' LEU . 35.0 m-85 -94.6 -25.31 16.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.576 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -56.84 -45.93 99.9 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.679 0.752 . . . . 0.0 110.863 -179.756 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' ' 35' ' ' SER . 65.9 Cg_exo -47.99 -20.32 2.03 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.677 2.252 . . . . 0.0 112.309 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -90.61 -33.6 15.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -178.41 -124.49 0.87 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.459 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -125.73 140.67 52.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.853 0.359 . . . . 0.0 110.883 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.578 HD11 ' HB2' ' A' ' 34' ' ' PHE . 68.3 mt -104.15 110.3 29.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.2 pt -95.3 -24.23 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -143.42 113.76 7.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.841 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.696 HD13 HG22 ' A' ' 54' ' ' VAL . 4.3 tp -135.95 112.88 10.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.45 ' N ' HD12 ' A' ' 43' ' ' LEU . 6.9 t -122.65 147.3 46.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.617 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 0.3 OUTLIER -127.7 141.67 51.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.543 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 8.6 m-20 -126.87 95.6 36.9 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.596 0.713 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.597 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 64.8 Cg_exo -47.97 -43.39 30.19 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.679 2.252 . . . . 0.0 112.321 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.0 Cg_exo -47.92 -62.13 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.657 2.238 . . . . 0.0 112.392 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -85.99 -2.9 58.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.8 m120 55.87 35.69 25.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.506 ' HG ' ' HD1' ' A' ' 21' ' ' TYR . 50.7 m -121.65 -178.36 3.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.617 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -156.98 172.69 18.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.087 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -142.36 109.05 5.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.696 HG22 HD13 ' A' ' 43' ' ' LEU . 60.6 t -106.02 132.94 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.152 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.4 m -116.08 128.95 56.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.183 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.753 ' CD2' HD11 ' A' ' 18' ' ' LEU . 27.3 m-85 -96.24 143.12 27.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -58.47 -18.7 30.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -132.46 163.02 29.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.39 -23.48 30.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -62.88 -19.95 64.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.3 m -90.83 -30.17 17.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.706 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -55.69 -54.45 44.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.079 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.36 -39.45 92.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.43 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 40.3 mt-30 -56.77 -68.21 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -46.47 -56.99 5.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.93 HG21 HD13 ' A' ' 83' ' ' ILE . 12.0 t -54.86 -17.31 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.155 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -91.46 -33.78 15.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -97.54 -58.0 2.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.888 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.669 HD12 ' CE2' ' A' ' 34' ' ' PHE . 9.2 mt -55.84 -21.11 18.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -55.77 115.85 2.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 56.75 23.91 46.4 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.48 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.616 HG23 HG13 ' A' ' 74' ' ' VAL . 1.3 t -82.76 154.12 24.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.719 0.295 . . . . 0.0 111.14 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -114.93 95.48 5.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.616 HG13 HG23 ' A' ' 72' ' ' THR . 3.2 m -115.87 143.91 24.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.451 ' CB ' HD11 ' A' ' 29' ' ' LEU . 6.0 mm-40 53.83 36.77 24.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.1 m 61.6 28.38 17.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 94.7 t -138.02 127.01 32.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.137 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -80.24 105.51 11.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.468 HD21 ' HG2' ' A' ' 25' ' ' MET . 40.4 mt -95.73 141.24 29.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.04 113.43 19.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.613 HG12 HG22 ' A' ' 66' ' ' VAL . 8.0 t -109.37 145.11 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -148.14 157.28 43.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.93 HD13 HG21 ' A' ' 66' ' ' VAL . 11.0 mm -77.26 95.01 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 179.812 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.689 ' N ' HD21 ' A' ' 16' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.863 0.363 . . . . 0.0 110.9 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.3 m -87.36 151.77 22.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.166 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.831 HD21 ' HA ' ' A' ' 62' ' ' ALA . 4.6 mt -129.89 131.7 46.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -87.11 98.91 11.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.95 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.7 t -94.13 139.59 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.117 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -141.23 122.51 14.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -137.49 -153.45 6.35 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.454 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -131.07 -61.68 0.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.834 0.35 . . . . 0.0 110.893 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -114.13 42.7 2.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.524 ' SD ' HD22 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -103.26 139.92 38.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 73.4 p -114.15 155.52 45.43 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.602 0.715 . . . . 0.0 111.113 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -47.95 -61.1 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.705 2.27 . . . . 0.0 112.368 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 90.0 m -49.5 -33.18 13.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.527 HD11 ' CB ' ' A' ' 75' ' ' GLU . 6.0 tt -66.42 -48.83 68.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.3 mt -59.85 -28.07 67.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.444 ' HB3' ' NH1' ' A' ' 31' ' ' ARG . 9.2 mtp-105 -63.4 -39.01 93.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -92.94 -11.56 58.74 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.24 -30.64 13.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.826 0.346 . . . . 0.0 111.084 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.483 ' CZ ' HD13 ' A' ' 69' ' ' LEU . 17.9 m-85 -96.52 -22.74 16.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.587 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -55.36 -46.0 99.77 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.65 0.738 . . . . 0.0 110.864 -179.788 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 35' ' ' SER . 64.8 Cg_exo -47.97 -23.44 4.31 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.661 2.241 . . . . 0.0 112.355 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.526 ' CE2' ' HG ' ' A' ' 69' ' ' LEU . 90.8 m-85 -88.89 -35.8 16.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 179.78 -158.14 21.58 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.485 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -96.16 137.26 35.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.34 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.445 HD11 ' HB2' ' A' ' 34' ' ' PHE . 88.9 mt -99.55 112.11 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.1 pt -99.89 -20.96 5.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -146.54 106.62 4.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.934 HD13 HG22 ' A' ' 54' ' ' VAL . 3.8 tp -128.27 115.6 18.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.588 ' O ' ' HB1' ' A' ' 52' ' ' ALA . 29.1 t -122.16 149.89 42.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.823 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.52 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 0.5 OUTLIER -133.37 140.32 47.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.918 179.913 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.546 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 15.5 m-20 -130.77 95.6 25.58 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.588 0.709 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.597 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 65.7 Cg_exo -47.99 -43.27 30.63 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.731 2.287 . . . . 0.0 112.298 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 64.8 Cg_exo -47.91 -59.89 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.724 2.283 . . . . 0.0 112.354 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -88.8 5.23 44.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 47.61 35.1 4.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 12.7 p -125.45 -179.09 4.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.588 ' HB1' ' O ' ' A' ' 44' ' ' SER . . . -160.73 169.28 23.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.081 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -134.41 102.26 5.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.934 HG22 HD13 ' A' ' 43' ' ' LEU . 66.6 t -100.33 132.4 46.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.118 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 27.0 m -114.55 138.48 50.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.588 ' CD2' HD11 ' A' ' 18' ' ' LEU . 13.2 m-85 -106.23 140.98 38.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -53.22 -23.51 8.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -125.42 162.83 23.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.5 ptm -82.21 -29.9 31.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.481 ' HG3' ' N ' ' A' ' 61' ' ' SER . 10.1 pt-20 -55.25 -43.1 74.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.481 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 53.8 m -64.35 -36.75 85.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.909 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.831 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -51.21 -54.93 21.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.155 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -67.5 -31.46 71.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.478 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 34.4 mt-30 -61.03 -65.44 0.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -47.51 -57.33 5.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.461 HG21 HG12 ' A' ' 83' ' ' ILE . 8.2 t -54.04 -15.69 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -91.19 -40.8 11.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -98.14 -59.02 1.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.526 ' HG ' ' CE2' ' A' ' 37' ' ' PHE . 11.2 mt -54.97 -14.35 1.45 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -66.07 118.33 9.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 60.65 20.97 57.3 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.558 HG23 HG13 ' A' ' 74' ' ' VAL . 1.3 t -87.01 154.17 20.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.738 0.304 . . . . 0.0 111.131 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -115.08 97.92 6.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.558 HG13 HG23 ' A' ' 72' ' ' THR . 3.4 m -111.72 142.55 23.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.527 ' CB ' HD11 ' A' ' 29' ' ' LEU . 55.7 mm-40 54.86 25.14 6.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.2 m 74.75 28.37 1.17 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.611 HG12 HD23 ' A' ' 79' ' ' LEU . 84.1 t -138.54 117.09 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.144 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -74.47 104.32 5.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.611 HD23 HG12 ' A' ' 77' ' ' VAL . 7.8 mt -92.43 150.6 20.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -127.14 107.67 10.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.934 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.432 ' CG1' ' HB3' ' A' ' 18' ' ' LEU . 2.4 t -104.09 129.68 55.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -136.87 137.36 39.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.461 HG12 HG21 ' A' ' 66' ' ' VAL . 7.7 mm -65.86 98.04 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.092 179.814 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.9 p-10 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.919 0.39 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.5 m -84.99 152.69 23.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.177 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.668 HD22 HG23 ' A' ' 66' ' ' VAL . 10.5 mt -135.36 127.1 29.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.933 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -82.04 107.98 15.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.963 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.639 HG13 HG22 ' A' ' 81' ' ' VAL . 6.0 t -103.76 149.38 7.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.138 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.471 ' CD1' ' N ' ' A' ' 22' ' ' GLY . 11.9 t80 -132.98 148.63 52.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.471 ' N ' ' CD1' ' A' ' 21' ' ' TYR . . . -167.73 177.46 42.06 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.464 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -131.61 -34.56 1.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.922 0.391 . . . . 0.0 110.912 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -126.06 40.98 3.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.503 ' HG2' HD21 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -117.5 154.12 31.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.4 p -124.56 157.26 66.05 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.579 0.705 . . . . 0.0 111.148 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_exo -47.98 -62.52 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.693 2.262 . . . . 0.0 112.332 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 75.4 m -49.55 -33.35 14.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.155 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.6 tt -62.29 -47.14 85.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.928 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.4 mt -64.31 -31.86 73.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.96 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.708 ' CD ' HD23 ' A' ' 43' ' ' LEU . 31.5 mmm-85 -55.59 -49.09 73.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -83.61 -12.96 76.91 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.505 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.01 -30.49 19.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.83 0.347 . . . . 0.0 111.094 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.826 ' HB2' HD11 ' A' ' 40' ' ' ILE . 16.5 m-85 -96.71 -13.43 22.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.575 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 0.6 OUTLIER -57.29 -45.89 99.87 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.668 0.747 . . . . 0.0 110.824 -179.778 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' ' 35' ' ' SER . 65.7 Cg_exo -47.93 -51.67 9.51 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.743 2.296 . . . . 0.0 112.343 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.551 ' CE2' ' HG ' ' A' ' 69' ' ' LEU . 98.1 m-85 -61.65 -39.03 89.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 177.94 -155.6 17.6 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.452 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -97.07 142.78 28.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.778 0.323 . . . . 0.0 110.899 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.826 HD11 ' HB2' ' A' ' 34' ' ' PHE . 69.6 mt -102.36 109.83 27.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.137 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.8 pt -95.07 -26.36 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.122 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -139.06 112.77 8.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.894 HD13 HG22 ' A' ' 54' ' ' VAL . 7.7 tp -137.77 115.59 11.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.957 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.8 t -128.59 133.93 48.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.792 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 1.0 OUTLIER -111.93 136.0 51.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.548 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 21.9 m-20 -119.81 95.48 49.19 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.611 0.719 . . . . 0.0 110.932 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.591 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 64.8 Cg_exo -47.89 -43.39 29.74 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.703 2.268 . . . . 0.0 112.343 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.0 Cg_exo -47.97 -63.94 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.632 2.221 . . . . 0.0 112.367 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.83 10.36 11.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.1 m120 42.26 40.33 1.73 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 98.8 m -126.82 -177.37 4.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.792 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -156.5 164.85 37.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.088 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -136.28 105.4 5.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.894 HG22 HD13 ' A' ' 43' ' ' LEU . 40.6 t -103.42 136.56 35.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.146 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 50.2 m -116.06 145.08 43.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.479 ' CD2' HD11 ' A' ' 18' ' ' LEU . 24.7 m-85 -112.93 140.83 47.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -58.67 -22.82 57.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.6 mttp -130.03 135.44 48.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.421 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 9.8 ptp -55.12 -40.68 70.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 59' ' ' MET . 10.5 pt-20 -36.25 -53.3 0.82 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 62' ' ' ALA . 24.0 m -58.03 -48.86 78.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.632 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -33.79 -63.03 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.101 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -62.25 -44.62 96.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.465 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 23.5 mt-30 -52.81 -66.1 0.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.523 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . . . -48.35 -62.13 1.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.901 HG21 HD13 ' A' ' 83' ' ' ILE . 16.5 t -49.82 -21.8 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.125 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -84.89 -36.97 21.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.057 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -97.85 -58.42 1.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.551 ' HG ' ' CE2' ' A' ' 37' ' ' PHE . 9.0 mt -53.88 -15.22 1.23 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.19 108.56 3.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 68.37 22.03 74.52 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.428 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.647 HG23 HG13 ' A' ' 74' ' ' VAL . 3.0 t -85.74 151.13 24.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.703 0.287 . . . . 0.0 111.152 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -107.77 97.47 7.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.647 HG13 HG23 ' A' ' 72' ' ' THR . 3.3 m -114.9 140.04 38.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.084 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 55.25 29.06 12.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.6 t 69.88 29.77 3.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.856 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.5 t -138.54 125.53 26.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.12 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -78.15 102.66 7.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.503 HD21 ' HG2' ' A' ' 25' ' ' MET . 30.0 mt -93.3 139.98 30.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 38.3 mttp -120.43 108.28 13.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.639 HG22 HG13 ' A' ' 20' ' ' VAL . 12.5 t -106.52 148.04 11.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -148.1 160.11 43.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.901 HD13 HG21 ' A' ' 66' ' ' VAL . 10.6 mm -75.74 94.85 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.117 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.815 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.6 p-10 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.894 0.378 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.3 m -85.2 147.29 26.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.789 HD21 ' HA ' ' A' ' 62' ' ' ALA . 8.1 mt -127.71 136.86 52.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -91.98 110.92 22.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.942 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.547 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 13.6 t -106.07 149.7 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.168 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.4 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 9.2 t80 -138.86 120.43 15.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.967 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -135.76 -174.5 13.41 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.504 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -128.72 -60.08 1.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.901 0.382 . . . . 0.0 110.935 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -108.84 46.2 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.848 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.84 154.39 31.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 p -124.24 157.31 64.83 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-O 121.61 0.719 . . . . 0.0 111.107 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -48.0 -64.51 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.686 2.257 . . . . 0.0 112.305 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 94.7 m -46.05 -32.87 3.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.429 HD23 ' O ' ' A' ' 29' ' ' LEU . 5.5 tt -65.67 -48.56 71.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.9 mt -62.74 -31.45 72.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.467 ' HG2' HD23 ' A' ' 43' ' ' LEU . 23.7 mtm180 -55.67 -43.8 76.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -90.33 -3.37 72.38 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.511 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.59 -37.05 11.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.82 0.343 . . . . 0.0 111.089 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.668 ' CE2' HD12 ' A' ' 69' ' ' LEU . 41.9 m-85 -94.36 -17.93 22.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.586 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -58.88 -46.0 99.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.68 0.753 . . . . 0.0 110.866 -179.792 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 35' ' ' SER . 64.4 Cg_exo -47.97 -38.02 30.65 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.681 2.254 . . . . 0.0 112.355 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.491 ' HE1' HD21 ' A' ' 69' ' ' LEU . 86.7 m-85 -74.84 -37.74 62.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -176.85 -161.87 26.38 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.505 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -93.53 131.48 38.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.81 0.338 . . . . 0.0 110.852 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.487 HG21 ' HB2' ' A' ' 43' ' ' LEU . 45.9 mt -92.95 115.14 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.142 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.9 pt -99.45 -19.3 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.095 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -146.95 109.78 4.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.654 HD13 HG22 ' A' ' 54' ' ' VAL . 7.0 tp -132.42 106.21 7.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 29.7 t -117.33 143.74 45.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.931 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 20.9 mmm -126.84 127.42 44.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.542 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 28.8 m-20 -120.51 95.59 49.0 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.625 0.726 . . . . 0.0 110.865 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.579 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 63.8 Cg_exo -47.95 -43.31 30.28 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.668 2.245 . . . . 0.0 112.395 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.4 Cg_exo -47.98 -60.79 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.62 2.214 . . . . 0.0 112.378 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -85.3 4.76 33.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 44.91 53.77 7.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 29.2 p -148.41 175.96 10.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.931 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -153.75 165.79 34.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.079 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -128.47 103.68 7.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.654 HG22 HD13 ' A' ' 43' ' ' LEU . 44.9 t -102.72 114.78 43.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.2 m -101.28 144.18 30.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.158 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.641 ' CD2' HD11 ' A' ' 18' ' ' LEU . 15.1 m-85 -110.55 144.14 39.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.936 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -59.55 -18.06 37.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.868 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt -134.45 156.36 48.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.478 ' SD ' ' N ' ' A' ' 60' ' ' GLU . 4.2 ppp? -71.22 -46.36 61.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.88 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.478 ' N ' ' SD ' ' A' ' 59' ' ' MET . 16.8 pt-20 -37.99 -44.51 0.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.473 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 63.0 m -63.48 -51.23 66.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.789 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -39.38 -59.44 1.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.081 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -62.63 -45.17 94.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.466 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 35.7 mt-30 -51.65 -64.62 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -47.28 -59.43 3.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.565 HG22 HG12 ' A' ' 81' ' ' VAL . 10.8 t -53.22 -18.03 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -89.08 -36.94 15.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -97.98 -58.92 1.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.668 HD12 ' CE2' ' A' ' 34' ' ' PHE . 8.3 mt -51.89 -36.76 49.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 69' ' ' LEU . 0.5 OUTLIER -37.29 114.83 0.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 51.22 39.88 43.62 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.467 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.482 HG23 HG13 ' A' ' 74' ' ' VAL . 8.0 t -90.39 157.99 17.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.759 0.314 . . . . 0.0 111.142 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -114.13 95.37 5.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.482 HG13 HG23 ' A' ' 72' ' ' THR . 1.9 m -116.99 139.49 43.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.404 ' CD ' ' HG ' ' A' ' 29' ' ' LEU . 20.2 mt-10 54.14 29.91 11.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.4 p 69.24 31.59 3.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 77.1 t -138.3 128.4 34.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.13 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -81.47 109.44 15.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.1 mt -98.33 139.2 34.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.943 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 31.0 mttp -119.44 104.81 10.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.875 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.565 HG12 HG22 ' A' ' 66' ' ' VAL . 19.4 t -104.1 145.68 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.139 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -152.55 151.84 31.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.435 HD13 HG21 ' A' ' 66' ' ' VAL . 10.4 mm -70.52 95.4 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.133 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 83' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.085 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.927 0.394 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.1 m -86.21 156.18 20.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.12 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.856 HD21 ' HA ' ' A' ' 62' ' ' ALA . 14.7 mt -134.87 128.58 32.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -84.4 111.61 19.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.461 HG22 HG13 ' A' ' 81' ' ' VAL . 16.0 t -108.35 147.5 13.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.096 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -140.8 123.18 15.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.923 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -137.93 -174.86 13.57 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.508 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -126.3 -60.52 1.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.35 . . . . 0.0 110.909 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -110.17 47.47 0.96 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.84 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.43 155.5 29.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.6 p -126.43 153.9 74.98 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.614 0.721 . . . . 0.0 111.112 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -47.97 -59.77 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.687 2.258 . . . . 0.0 112.365 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 54.2 m -45.92 -35.14 4.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.136 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.466 HD11 ' CB ' ' A' ' 75' ' ' GLU . 6.1 tt -66.76 -49.53 65.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.436 HD11 ' CE ' ' A' ' 45' ' ' MET . 15.1 mt -58.25 -31.12 67.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -58.84 -41.32 86.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.82 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -90.67 -9.65 64.2 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.504 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.12 -31.92 14.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.851 0.358 . . . . 0.0 111.096 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.476 ' HB2' HD11 ' A' ' 40' ' ' ILE . 27.7 m-85 -96.43 -23.39 16.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.587 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -55.53 -46.0 99.78 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.665 0.745 . . . . 0.0 110.86 -179.796 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 35' ' ' SER . 63.7 Cg_exo -47.94 -37.62 29.69 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.67 2.247 . . . . 0.0 112.372 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.411 ' HE1' HD21 ' A' ' 69' ' ' LEU . 95.1 m-85 -75.84 -37.48 58.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -176.35 -162.91 27.96 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -94.37 124.78 38.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.776 0.322 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.487 HG21 ' HB2' ' A' ' 43' ' ' LEU . 43.3 mt -84.56 114.76 25.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.9 pt -101.56 -21.23 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -145.0 106.23 4.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.869 HD13 HG22 ' A' ' 54' ' ' VAL . 9.4 tp -128.1 109.86 11.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 m -118.08 136.45 53.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.827 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.72 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 1.4 mmt -124.03 131.89 53.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.54 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 1.4 m-20 -125.04 95.59 41.6 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.576 0.703 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.586 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 65.7 Cg_exo -47.96 -43.34 30.27 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.663 2.242 . . . . 0.0 112.361 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.0 Cg_exo -47.95 -63.74 0.29 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.702 2.268 . . . . 0.0 112.352 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 -81.68 6.26 15.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.8 m120 44.05 48.35 7.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 24.3 p -145.88 173.81 11.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.72 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -153.68 167.9 28.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.09 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -134.81 101.82 5.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.869 HG22 HD13 ' A' ' 43' ' ' LEU . 71.5 t -96.09 130.42 44.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.101 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 90.0 m -110.24 139.5 45.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.172 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.587 ' CD2' ' HB3' ' A' ' 61' ' ' SER . 15.6 m-85 -108.96 141.75 40.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -58.25 -32.3 68.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.4 mtpt -125.22 121.42 34.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.95 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.466 ' HG2' ' N ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -44.03 -36.7 2.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 179.887 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.466 ' N ' ' HG2' ' A' ' 59' ' ' MET . 6.7 mt-10 -39.14 -32.66 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.587 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 36.2 m -78.38 -47.25 18.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.856 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -36.0 -57.0 0.71 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -65.42 -45.5 83.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.457 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 15.1 mt-30 -54.02 -66.38 0.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -47.15 -58.64 3.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.634 HG21 HD13 ' A' ' 83' ' ' ILE . 12.5 t -53.88 -20.21 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.169 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -85.69 -38.19 18.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.084 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -97.88 -58.46 1.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 65' ' ' ALA . 9.3 mt -52.75 -21.02 3.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -61.69 118.15 6.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 60.53 21.83 58.21 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.501 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.477 HG23 HG13 ' A' ' 74' ' ' VAL . 1.7 t -84.67 157.5 21.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.696 0.284 . . . . 0.0 111.16 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -119.75 97.39 5.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.477 HG13 HG23 ' A' ' 72' ' ' THR . 3.4 m -112.05 143.73 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.466 ' CB ' HD11 ' A' ' 29' ' ' LEU . 30.5 mm-40 53.44 26.74 5.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.8 t 72.89 30.51 1.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.5 t -138.2 127.55 33.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.111 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -81.16 105.97 12.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 29.0 mt -95.73 137.83 34.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -115.83 108.8 16.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.478 HG12 HG22 ' A' ' 66' ' ' VAL . 5.3 t -110.54 144.08 19.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -149.28 155.69 40.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.846 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.634 HD13 HG21 ' A' ' 66' ' ' VAL . 13.3 mm -70.7 95.91 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.117 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.795 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.6 p-10 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.87 0.367 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.4 m -85.4 155.34 21.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.723 HD21 ' HA ' ' A' ' 62' ' ' ALA . 12.4 mt -135.84 128.05 30.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -83.88 107.54 16.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.948 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.499 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 37.0 t -106.96 143.24 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.129 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.492 ' C ' ' CD1' ' A' ' 21' ' ' TYR . 0.3 OUTLIER -139.01 135.01 33.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.876 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -147.71 -162.82 10.29 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.469 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -135.04 -45.8 0.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.865 0.364 . . . . 0.0 110.841 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.573 ' O ' HG21 ' A' ' 77' ' ' VAL . 14.0 m-20 -122.82 45.86 2.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.761 ' SD ' HD22 ' A' ' 79' ' ' LEU . 0.1 OUTLIER -117.88 139.65 50.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.7 p -112.63 155.61 43.64 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.543 0.687 . . . . 0.0 111.127 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo -48.0 -49.81 13.15 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.675 2.25 . . . . 0.0 112.296 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 87.0 m -58.53 -30.24 66.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.517 HD11 ' CB ' ' A' ' 75' ' ' GLU . 6.3 tt -68.4 -52.43 33.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.3 mt -57.22 -28.93 63.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.937 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.448 ' HA ' ' CD1' ' A' ' 40' ' ' ILE . 48.6 mtt-85 -61.98 -39.01 90.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -93.05 -12.1 58.02 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.05 -31.7 14.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.797 0.332 . . . . 0.0 111.088 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.536 ' CZ ' HD13 ' A' ' 69' ' ' LEU . 17.3 m-85 -95.19 -17.43 21.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.819 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.594 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -59.42 -45.69 98.93 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.713 0.768 . . . . 0.0 110.873 -179.81 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 35' ' ' SER . 64.5 Cg_exo -47.99 -34.93 24.08 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.692 2.261 . . . . 0.0 112.374 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.469 ' HE1' HD21 ' A' ' 69' ' ' LEU . 92.1 m-85 -77.14 -36.02 55.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -178.99 -148.22 7.56 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -104.98 138.41 41.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.755 0.312 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.513 HD11 ' HB2' ' A' ' 34' ' ' PHE . 60.1 mt -99.98 113.24 34.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 12.8 pt -99.83 -33.16 3.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -134.6 106.48 7.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.78 HD13 HG22 ' A' ' 54' ' ' VAL . 3.4 tp -129.67 109.94 11.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.425 ' N ' HD12 ' A' ' 43' ' ' LEU . 11.3 p -120.23 141.87 49.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.416 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -120.77 140.06 52.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.547 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 6.6 t70 -126.0 95.67 38.97 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.589 0.709 . . . . 0.0 110.851 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.598 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 65.0 Cg_exo -48.03 -43.28 30.79 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.669 2.246 . . . . 0.0 112.365 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.6 Cg_exo -47.97 -62.24 0.47 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.699 2.266 . . . . 0.0 112.312 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -91.9 12.23 22.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.5 m120 41.64 38.36 0.91 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.1 p -120.99 177.94 4.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.416 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -159.86 156.55 27.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.094 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -121.75 99.43 6.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.855 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.78 HG22 HD13 ' A' ' 43' ' ' LEU . 96.1 t -96.04 130.08 45.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.083 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 39.8 m -113.39 131.23 56.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.133 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.632 ' CD2' HD11 ' A' ' 18' ' ' LEU . 27.9 m-85 -99.84 141.4 32.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -55.65 -25.38 38.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 33.2 mttm -121.04 162.14 20.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.7 ptm -81.18 -30.64 34.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.471 ' HG3' ' N ' ' A' ' 61' ' ' SER . 14.2 pt-20 -55.34 -43.04 74.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.471 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 56.3 m -58.61 -43.52 89.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.723 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -45.09 -60.07 2.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.042 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -64.41 -39.91 94.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.821 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.462 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 17.0 mt-30 -55.34 -66.73 0.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -47.39 -56.14 7.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.7 HG23 HD22 ' A' ' 18' ' ' LEU . 6.7 t -52.33 -17.13 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -91.49 -38.21 12.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.111 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -98.13 -58.46 1.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.536 HD13 ' CZ ' ' A' ' 34' ' ' PHE . 9.3 mt -57.63 -12.59 2.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.45 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -72.4 111.8 7.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 179.897 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 71.7 13.33 74.86 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.498 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.503 HG23 HG13 ' A' ' 74' ' ' VAL . 1.3 t -82.17 154.96 25.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.745 0.307 . . . . 0.0 111.148 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -118.93 95.12 4.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.503 HG13 HG23 ' A' ' 72' ' ' THR . 3.4 m -107.49 143.56 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.517 ' CB ' HD11 ' A' ' 29' ' ' LEU . 5.9 mm-40 56.27 25.04 8.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.5 t 74.16 29.36 1.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.573 HG21 ' O ' ' A' ' 24' ' ' ASP . 89.3 t -138.43 119.88 17.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.085 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -76.38 103.52 6.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.761 HD22 ' SD ' ' A' ' 25' ' ' MET . 26.6 mt -89.36 147.55 24.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 19.3 ttpt -121.84 103.96 9.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.502 HG21 ' HB3' ' A' ' 69' ' ' LEU . 17.7 t -100.54 144.52 12.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -150.15 150.15 31.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.684 HD13 HG21 ' A' ' 66' ' ' VAL . 9.6 mm -70.9 94.75 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.814 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.932 0.396 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.57 ' O ' HD23 ' A' ' 18' ' ' LEU . 9.0 m -87.22 154.19 20.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.173 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.734 HD11 ' CD2' ' A' ' 56' ' ' TYR . 9.7 mt -136.27 126.44 26.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -82.92 106.45 14.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.638 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 22.3 t -105.37 143.93 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.11 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.401 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 7.9 t80 -138.11 119.79 15.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -132.94 -175.68 14.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.55 ' CD ' ' N ' ' A' ' 23' ' ' GLU . 3.2 mp0 -117.56 -69.94 0.82 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 110.891 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -105.71 50.5 0.78 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.408 ' HG2' HD21 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -116.78 151.55 36.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 p -124.46 158.4 61.74 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.606 0.717 . . . . 0.0 111.125 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -47.98 -62.71 0.4 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.667 2.244 . . . . 0.0 112.371 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 74.5 m -42.02 -37.91 1.49 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.146 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.558 HD11 ' CB ' ' A' ' 75' ' ' GLU . 5.6 tt -65.67 -51.29 60.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.7 mt -56.71 -31.61 64.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 52.2 mtt180 -59.38 -42.51 91.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -91.65 -9.22 63.07 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.481 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.32 -33.78 14.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.784 0.326 . . . . 0.0 111.096 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.72 ' CE2' HD12 ' A' ' 69' ' ' LEU . 45.8 m-85 -95.83 -19.6 19.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.58 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -62.03 -46.01 91.64 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.632 0.729 . . . . 0.0 110.831 -179.759 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.58 ' CD ' ' N ' ' A' ' 35' ' ' SER . 65.1 Cg_exo -47.98 -17.71 0.91 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.695 2.263 . . . . 0.0 112.366 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -93.43 -33.47 13.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -177.3 -130.31 1.36 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.46 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -123.6 133.33 53.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.802 0.334 . . . . 0.0 110.935 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.491 HG21 ' HB2' ' A' ' 43' ' ' LEU . 57.6 mt -95.02 110.78 24.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.5 pt -98.11 -18.51 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -148.93 106.9 3.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.701 HD13 HG22 ' A' ' 54' ' ' VAL . 8.3 tp -128.06 106.56 9.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.2 m -117.33 138.0 52.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.807 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 4.7 mmm -121.29 123.08 41.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.536 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 36.7 m-20 -114.04 95.62 38.92 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.586 0.707 . . . . 0.0 110.857 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.586 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 64.8 Cg_exo -47.99 -43.31 30.52 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.694 2.263 . . . . 0.0 112.357 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.5 Cg_exo -47.98 -44.97 26.38 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.344 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 50' ' ' ASN . 37.5 mmt180 -104.52 13.89 30.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 49' ' ' ARG . 24.1 m-80 37.29 41.44 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 29.7 p -134.65 174.23 10.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.807 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -152.63 161.24 42.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.138 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -124.77 102.2 7.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.701 HG22 HD13 ' A' ' 43' ' ' LEU . 60.8 t -98.93 117.08 43.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 40.1 m -100.21 132.39 45.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.734 ' CD2' HD11 ' A' ' 18' ' ' LEU . 15.9 m-85 -99.73 146.51 26.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -59.9 -24.31 64.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.7 mtmm -130.21 156.66 44.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.502 ' SD ' ' N ' ' A' ' 60' ' ' GLU . 4.0 ppp? -67.2 -49.15 65.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.898 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.502 ' N ' ' SD ' ' A' ' 59' ' ' MET . 19.7 pt-20 -35.91 -51.8 0.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.52 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 69.5 m -52.33 -52.25 54.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.704 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -41.14 -64.5 0.54 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.09 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.19 -45.98 79.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.434 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 9.6 mt-30 -51.96 -64.64 0.75 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -47.79 -57.55 5.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.118 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.495 HG21 HG12 ' A' ' 83' ' ' ILE . 9.2 t -54.81 -16.81 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -91.04 -36.31 14.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -97.94 -58.17 2.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.938 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.72 HD12 ' CE2' ' A' ' 34' ' ' PHE . 8.7 mt -54.69 -27.41 40.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -51.69 113.81 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 58.68 33.41 72.41 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.482 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.52 HG23 HG13 ' A' ' 74' ' ' VAL . 2.5 t -91.31 161.58 14.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.746 0.308 . . . . 0.0 111.149 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -120.67 95.76 4.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.933 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.52 HG13 HG23 ' A' ' 72' ' ' THR . 2.8 m -116.99 141.0 37.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.558 ' CB ' HD11 ' A' ' 29' ' ' LEU . 17.7 mm-40 54.57 33.37 18.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m 63.97 29.71 14.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 86.4 t -138.0 125.52 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.135 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -78.3 116.09 18.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.408 HD21 ' HG2' ' A' ' 25' ' ' MET . 52.8 mt -105.72 141.2 37.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -122.5 108.65 13.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.556 HG13 HG22 ' A' ' 20' ' ' VAL . 3.1 t -108.64 139.06 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -145.93 143.34 29.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.495 HG12 HG21 ' A' ' 66' ' ' VAL . 8.3 mm -70.44 98.45 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.793 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.8 p-10 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.927 0.394 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.8 m -87.29 155.26 20.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.827 HD21 ' HA ' ' A' ' 62' ' ' ALA . 9.3 mt -136.27 128.62 30.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -80.65 105.2 11.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.66 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 48.0 t -103.38 137.37 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.121 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 0.6 OUTLIER -142.94 116.24 9.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.898 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -127.07 -145.88 6.34 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -133.66 -72.95 0.49 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.865 0.364 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -103.85 49.61 0.82 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.711 ' SD ' HD22 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -109.93 145.92 36.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.7 p -119.96 155.49 55.26 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.577 0.703 . . . . 0.0 111.16 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -47.97 -45.55 24.58 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.695 2.263 . . . . 0.0 112.317 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.7 m -64.63 -29.9 70.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.46 HD11 ' CB ' ' A' ' 75' ' ' GLU . 6.0 tt -70.79 -50.45 35.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.422 HD21 ' HB2' ' A' ' 25' ' ' MET . 13.2 mt -56.13 -31.51 63.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.415 ' HA ' ' CD1' ' A' ' 40' ' ' ILE . 67.4 mtt-85 -62.9 -37.78 88.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -90.6 -11.72 61.85 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.462 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.67 -30.86 13.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.784 0.326 . . . . 0.0 111.077 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.66 ' CZ ' HG21 ' A' ' 20' ' ' VAL . 29.0 m-85 -95.5 -13.69 24.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.588 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -64.09 -45.98 79.95 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.652 0.739 . . . . 0.0 110.835 -179.782 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 35' ' ' SER . 64.4 Cg_exo -47.94 -24.62 5.37 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.689 2.259 . . . . 0.0 112.361 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.481 ' HE2' HD21 ' A' ' 69' ' ' LEU . 86.9 m-85 -87.28 -37.57 17.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -179.67 -147.45 7.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.458 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -104.76 141.16 36.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 110.875 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.478 HG21 ' HB2' ' A' ' 43' ' ' LEU . 60.8 mt -102.93 115.22 44.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.6 pt -102.03 -24.71 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.151 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -140.99 106.08 4.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.958 HD13 HG22 ' A' ' 54' ' ' VAL . 9.5 tp -130.6 109.28 10.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.2 m -119.89 148.02 44.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.471 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 0.3 OUTLIER -126.11 138.74 53.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.547 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 0.6 OUTLIER -123.83 95.57 44.22 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.662 0.744 . . . . 0.0 110.834 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.592 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 65.1 Cg_exo -47.97 -43.42 30.14 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.667 2.245 . . . . 0.0 112.313 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.592 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 66.6 Cg_exo -47.95 -53.14 7.06 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.74 2.293 . . . . 0.0 112.312 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -100.95 11.57 39.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.939 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.7 m120 41.66 36.4 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 18.2 p -117.53 -177.26 3.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.471 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -161.94 162.64 29.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.092 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -130.86 99.45 4.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.958 HG22 HD13 ' A' ' 43' ' ' LEU . 58.5 t -95.45 127.97 47.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.089 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 93.8 m -108.53 139.88 42.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.535 ' CD2' ' HB3' ' A' ' 61' ' ' SER . 14.0 m-85 -108.57 142.2 39.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -62.85 -22.78 66.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 59' ' ' MET . 49.6 mttt -131.64 109.74 10.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.44 ' HG2' ' N ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -35.18 -37.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.44 ' N ' ' HG2' ' A' ' 59' ' ' MET . 14.4 mt-10 -37.02 -46.53 0.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.535 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 56.6 m -64.6 -46.07 84.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.827 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -35.58 -59.19 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.091 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.5 -45.06 88.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.871 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.452 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 23.0 mt-30 -54.58 -67.13 0.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -46.06 -58.17 3.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.841 HG21 HD13 ' A' ' 83' ' ' ILE . 9.4 t -54.18 -18.27 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.116 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -89.3 -36.72 15.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.065 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -98.01 -58.35 2.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.58 ' HB3' HG21 ' A' ' 81' ' ' VAL . 12.3 mt -55.43 -17.9 5.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.406 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -65.44 116.73 7.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 179.915 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 65.93 17.38 65.27 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.453 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.543 HG23 HG13 ' A' ' 74' ' ' VAL . 1.3 t -84.89 152.31 23.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.696 0.284 . . . . 0.0 111.181 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -115.74 96.33 5.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.543 HG13 HG23 ' A' ' 72' ' ' THR . 3.4 m -110.22 142.62 22.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.139 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.46 ' CB ' HD11 ' A' ' 29' ' ' LEU . 5.4 mm-40 56.1 28.76 13.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.3 m 70.33 25.6 4.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 92.1 t -135.94 121.29 28.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -77.89 111.78 14.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.711 HD22 ' SD ' ' A' ' 25' ' ' MET . 24.0 mt -98.6 146.47 25.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.958 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -119.2 104.87 10.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.58 HG21 ' HB3' ' A' ' 69' ' ' LEU . 4.2 t -101.86 136.69 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -140.99 156.23 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.841 HD13 HG21 ' A' ' 66' ' ' VAL . 11.7 mm -75.47 95.23 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.146 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.118 179.815 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.2 m120 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.909 0.385 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.566 ' O ' HD23 ' A' ' 18' ' ' LEU . 8.7 m -84.44 150.48 25.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.677 HD21 ' HA ' ' A' ' 62' ' ' ALA . 10.3 mt -134.34 125.51 27.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.953 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -81.11 106.16 12.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.595 HG13 HG22 ' A' ' 81' ' ' VAL . 11.4 t -102.0 151.36 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.126 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.475 ' CD1' ' N ' ' A' ' 22' ' ' GLY . 11.0 t80 -133.33 148.05 51.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.475 ' N ' ' CD1' ' A' ' 21' ' ' TYR . . . -169.45 179.72 41.82 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.483 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -133.93 -44.97 0.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.883 0.373 . . . . 0.0 110.899 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -112.99 39.75 2.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.822 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.408 ' CG ' ' HA3' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -117.98 151.21 37.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 p -124.16 159.62 56.08 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.636 0.731 . . . . 0.0 111.116 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -47.95 -65.22 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.665 2.243 . . . . 0.0 112.371 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 95.8 m -48.61 -30.08 4.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.412 HD23 ' O ' ' A' ' 29' ' ' LEU . 5.7 tt -66.05 -48.69 70.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.7 mt -63.77 -31.41 72.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.481 ' HA ' ' CD1' ' A' ' 40' ' ' ILE . 50.7 mtt180 -56.82 -50.79 71.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.836 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.76 -7.24 88.66 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.462 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -97.8 -27.76 14.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.809 0.338 . . . . 0.0 111.089 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.711 ' HB2' HD11 ' A' ' 40' ' ' ILE . 19.1 m-85 -96.91 -15.98 20.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.642 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 7.2 t -61.22 -42.15 84.13 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.687 0.756 . . . . 0.0 110.855 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 35' ' ' SER . 65.3 Cg_exo -48.0 -42.1 32.3 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.647 2.231 . . . . 0.0 112.326 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.539 ' CE2' ' HA ' ' A' ' 65' ' ' ALA . 92.4 m-85 -73.62 -39.42 64.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -178.16 -149.8 8.27 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.541 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -102.03 138.97 38.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.827 0.346 . . . . 0.0 110.887 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.711 HD11 ' HB2' ' A' ' 34' ' ' PHE . 54.7 mt -97.86 116.65 41.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.105 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.4 pt -102.13 -27.39 3.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.082 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -138.63 111.09 7.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.842 HD13 HG22 ' A' ' 54' ' ' VAL . 8.1 tp -135.46 106.5 6.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.2 t -119.5 141.21 49.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.516 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 0.4 OUTLIER -115.64 140.6 49.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.545 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 0.6 OUTLIER -117.33 95.27 47.1 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.611 0.72 . . . . 0.0 110.852 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.586 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 65.9 Cg_exo -47.99 -43.25 30.63 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.688 2.259 . . . . 0.0 112.294 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 63.7 Cg_exo -47.91 -62.89 0.37 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.357 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -95.45 13.32 26.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 42.65 41.93 2.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 56.9 m -112.8 -177.3 3.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.516 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -157.59 156.55 32.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.081 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -129.84 99.66 5.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.842 HG22 HD13 ' A' ' 43' ' ' LEU . 39.0 t -98.5 135.44 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.088 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.1 m -119.14 136.85 53.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.453 ' HH ' ' HD2' ' A' ' 34' ' ' PHE . 23.8 m-85 -104.33 140.76 37.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.936 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -55.32 -34.9 64.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 59' ' ' MET . 21.5 mmtp -120.39 114.16 21.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.474 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 0.0 OUTLIER -36.52 -37.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.848 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 59' ' ' MET . 9.5 mt-10 -34.81 -56.06 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.447 ' HB2' ' CG ' ' A' ' 56' ' ' TYR . 53.5 m -56.81 -46.15 81.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.858 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.677 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -34.36 -60.4 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.096 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -63.99 -44.86 91.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.412 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 24.1 mt-30 -54.76 -67.17 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.539 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -47.25 -59.38 3.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.077 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 1.074 HG21 HD13 ' A' ' 83' ' ' ILE . 15.7 t -50.21 -21.3 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.137 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -89.23 -31.0 18.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.408 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 11.0 mt-10 -98.1 -59.2 1.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.434 ' CD1' ' CZ ' ' A' ' 34' ' ' PHE . 7.8 mt -55.92 -18.88 10.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -61.44 112.26 2.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.843 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 62.0 29.51 72.81 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.449 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.484 HG23 HG13 ' A' ' 74' ' ' VAL . 2.0 t -90.33 160.62 16.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.739 0.304 . . . . 0.0 111.146 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -120.34 96.63 5.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.484 HG13 HG23 ' A' ' 72' ' ' THR . 3.6 m -116.04 138.66 45.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.129 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 56.78 26.51 11.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.6 t 70.49 29.5 3.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.3 t -137.7 115.53 13.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.099 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -70.32 112.67 6.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.0 mt -102.12 140.0 36.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.961 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.51 111.58 16.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.595 HG22 HG13 ' A' ' 20' ' ' VAL . 6.4 t -110.77 147.25 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.091 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -146.5 151.12 36.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 1.074 HD13 HG21 ' A' ' 66' ' ' VAL . 19.4 mm -70.02 94.57 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 83' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.086 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.1 p -41.94 116.89 0.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 0.0 110.801 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.6 m -56.11 -53.89 51.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.3 -165.07 10.63 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.523 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.1 t -60.67 144.5 51.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.851 0.358 . . . . 0.0 110.842 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.1 m -78.73 91.08 4.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.86 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.94 -154.61 19.21 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.477 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -126.33 172.65 9.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.809 0.338 . . . . 0.0 110.926 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 -78.5 100.48 6.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.48 144.13 37.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -161.58 148.3 11.4 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.534 0.683 . . . . 0.0 111.121 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -177.9 2.08 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.744 2.296 . . . . 0.0 112.345 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -135.3 111.26 9.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.1 pttp -171.47 141.52 1.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 137.34 155.22 6.87 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.465 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -110.47 -48.41 3.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.947 0.403 . . . . 0.0 110.926 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.4 m -84.81 156.12 21.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.162 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.78 HD21 ' HA ' ' A' ' 62' ' ' ALA . 6.7 mt -136.81 129.95 31.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -84.79 110.21 18.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.671 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 36.8 t -109.09 144.82 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -136.79 131.1 32.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.441 ' HA3' ' CG ' ' A' ' 25' ' ' MET . . . -142.74 -171.13 13.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.508 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -131.02 -49.33 1.02 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.814 0.34 . . . . 0.0 110.836 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -120.6 40.7 3.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.441 ' CG ' ' HA3' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -110.01 148.76 31.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.8 p -119.52 155.01 54.65 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.569 0.699 . . . . 0.0 111.178 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -47.92 -56.4 3.13 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.707 2.271 . . . . 0.0 112.327 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.7 m -52.55 -29.52 25.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.425 HD11 ' CB ' ' A' ' 75' ' ' GLU . 5.4 tt -69.07 -50.75 45.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.9 mt -59.35 -29.35 67.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.485 ' HG2' HD23 ' A' ' 43' ' ' LEU . 27.4 mtp180 -57.26 -47.65 80.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -87.46 -7.09 76.55 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.451 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.29 -34.19 14.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.852 0.358 . . . . 0.0 111.097 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.671 ' CZ ' HG21 ' A' ' 20' ' ' VAL . 29.9 m-85 -96.61 -20.03 18.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.852 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.583 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -58.89 -45.99 99.57 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.67 0.748 . . . . 0.0 110.861 -179.766 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.583 ' CD ' ' N ' ' A' ' 35' ' ' SER . 66.8 Cg_exo -48.08 -32.74 19.28 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.673 2.249 . . . . 0.0 112.31 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.521 ' CE1' ' HG ' ' A' ' 69' ' ' LEU . 87.7 m-85 -79.25 -38.65 35.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.07 -150.88 7.89 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.518 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -104.01 129.72 51.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.82 0.343 . . . . 0.0 110.87 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.474 HD11 ' HB2' ' A' ' 34' ' ' PHE . 58.7 mt -90.98 114.19 27.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.157 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 12.6 pt -101.11 -22.47 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -143.56 106.37 4.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.836 HD13 HG22 ' A' ' 54' ' ' VAL . 7.6 tp -130.27 111.54 12.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 m -126.44 144.9 50.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.766 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 1.2 mmt -121.13 141.57 50.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.55 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 47.4 m-20 -125.06 95.6 41.54 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.593 0.711 . . . . 0.0 110.845 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.588 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 64.2 Cg_exo -47.96 -43.38 30.19 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.696 2.264 . . . . 0.0 112.348 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 63.8 Cg_exo -47.91 -64.38 0.24 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.715 2.276 . . . . 0.0 112.369 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -87.78 1.19 54.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.6 m120 50.35 51.08 17.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 9.0 p -128.24 174.75 9.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.766 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -151.73 135.95 16.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.079 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -108.0 102.8 11.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.836 HG22 HD13 ' A' ' 43' ' ' LEU . 61.0 t -103.54 121.85 55.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 60.7 m -105.3 136.87 44.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.168 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.647 ' CD2' HD11 ' A' ' 18' ' ' LEU . 16.2 m-85 -103.01 144.16 31.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.917 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -57.4 -22.48 43.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm -128.3 162.61 26.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 13.7 ptp -83.3 -26.09 30.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.903 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -57.56 -36.72 72.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.44 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 32.9 m -70.36 -43.82 69.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.833 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.78 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -40.98 -54.45 2.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.086 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -67.24 -39.42 86.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.4 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 28.0 mt-30 -54.87 -66.49 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -47.42 -54.33 11.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.075 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 1.021 HG21 HD13 ' A' ' 83' ' ' ILE . 12.1 t -55.06 -18.78 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.105 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -90.29 -39.25 12.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -97.81 -58.94 1.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.521 ' HG ' ' CE1' ' A' ' 37' ' ' PHE . 10.0 mt -55.73 -14.9 2.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.44 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 1.2 t30 -70.47 114.67 8.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 66.97 19.94 70.27 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.489 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.616 HG23 HG13 ' A' ' 74' ' ' VAL . 2.7 t -87.33 147.66 25.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.707 0.289 . . . . 0.0 111.176 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -107.38 95.07 5.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.616 HG13 HG23 ' A' ' 72' ' ' THR . 3.4 m -109.4 140.5 27.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.425 ' CB ' HD11 ' A' ' 29' ' ' LEU . 19.8 mm-40 54.79 36.46 26.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 66.4 m 62.73 27.69 16.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.842 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 23.0 t -138.01 123.72 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.138 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -75.54 113.09 12.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 15.0 mt -100.33 132.31 45.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -111.4 104.32 12.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.514 HG21 ' HB3' ' A' ' 69' ' ' LEU . 15.9 t -102.81 147.13 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -150.77 159.08 44.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 1.021 HD13 HG21 ' A' ' 66' ' ' VAL . 12.9 mm -76.88 95.08 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.082 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -37.82 140.22 0.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -96.44 144.86 26.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 36.4 tttm 73.18 46.5 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -116.61 78.91 9.09 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.584 0.707 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 179.03 4.03 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.692 2.262 . . . . 0.0 112.326 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.1 ptm -55.28 112.15 1.03 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.469 HD23 ' N ' ' A' ' 91' ' ' ASP . 1.9 tt -115.61 143.78 44.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.469 ' N ' HD23 ' A' ' 90' ' ' LEU . 2.1 m-20 -50.46 148.89 3.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.7 t -102.58 -36.8 8.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -116.99 81.23 0.31 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.523 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.67 119.9 6.78 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.717 2.278 . . . . 0.0 112.332 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.9 t -92.1 -51.44 5.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 83.5 p -83.69 39.8 0.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.527 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m 47.81 43.93 17.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.847 0.356 . . . . 0.0 110.817 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.7 p -101.26 43.06 1.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.09 -172.4 13.21 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.487 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.9 p -106.22 127.35 53.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.832 0.349 . . . . 0.0 110.889 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 t -110.96 42.71 1.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.91 164.84 26.82 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 58.97 42.6 19.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 0.0 110.888 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 52.4 mmm-85 -50.02 -51.83 39.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -63.83 162.91 12.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -112.77 142.17 26.72 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.565 0.698 . . . . 0.0 111.136 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 0.49 5.59 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.631 2.221 . . . . 0.0 112.366 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.469 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -58.05 152.14 17.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.469 ' N ' ' HD3' ' A' ' 13' ' ' ARG . 32.7 mttt -33.79 -68.94 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 69.31 101.54 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.463 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.473 ' OD1' ' N ' ' A' ' 16' ' ' ASN . 1.1 p-10 -116.71 -34.77 4.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.924 0.392 . . . . 0.0 110.922 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.414 ' O ' HD23 ' A' ' 18' ' ' LEU . 4.5 m -86.82 156.12 20.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.133 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.822 HD21 ' HA ' ' A' ' 62' ' ' ALA . 8.4 mt -134.78 128.71 33.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -84.24 110.3 18.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.95 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.642 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 22.4 t -107.7 146.1 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.153 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -134.26 134.21 41.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.407 ' HA3' ' CG ' ' A' ' 25' ' ' MET . . . -148.15 -175.14 20.55 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.5 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -132.81 -45.37 0.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.838 0.351 . . . . 0.0 110.91 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -122.17 42.4 3.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.407 ' CG ' ' HA3' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -113.63 154.35 27.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.9 p -125.84 155.45 72.81 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.553 0.692 . . . . 0.0 111.16 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -47.95 -63.93 0.28 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.708 2.272 . . . . 0.0 112.357 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.2 m -46.27 -30.96 2.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.554 HD21 ' HG3' ' A' ' 75' ' ' GLU . 5.9 tt -68.7 -48.11 64.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.946 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.8 mt -61.82 -30.01 70.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.7 mtp85 -58.05 -44.06 87.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -90.15 -4.52 71.48 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.462 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -97.32 -32.14 12.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.846 0.355 . . . . 0.0 111.076 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.642 ' CZ ' HG21 ' A' ' 20' ' ' VAL . 36.2 m-85 -96.57 -23.29 16.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.873 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.579 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -56.88 -46.05 99.9 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.687 0.756 . . . . 0.0 110.826 -179.797 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 35' ' ' SER . 65.2 Cg_exo -47.92 -21.84 2.93 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.725 2.283 . . . . 0.0 112.349 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -92.73 -38.13 11.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.24 -152.91 9.11 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.48 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -104.24 127.55 51.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.819 0.342 . . . . 0.0 110.898 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.508 HG21 ' HB2' ' A' ' 43' ' ' LEU . 46.6 mt -89.02 112.07 23.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.1 pt -97.19 -22.87 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.13 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -144.92 107.98 4.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.763 HD13 HG22 ' A' ' 54' ' ' VAL . 6.8 tp -128.43 111.13 12.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 59.1 p -123.23 137.46 54.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.852 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.83 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 1.9 mmm -118.91 134.04 55.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.543 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 4.0 m-20 -118.0 95.58 48.4 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.579 0.704 . . . . 0.0 110.879 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.594 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 66.0 Cg_exo -47.98 -43.36 30.34 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.688 2.259 . . . . 0.0 112.364 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.4 Cg_exo -47.96 -63.77 0.29 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.704 2.269 . . . . 0.0 112.402 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.2 mmp_? -86.51 -1.99 58.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 55.54 36.89 28.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.3 p -112.72 179.17 4.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.83 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -160.35 134.61 7.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.044 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -108.65 106.09 16.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.763 HG22 HD13 ' A' ' 43' ' ' LEU . 59.6 t -105.58 122.27 58.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.116 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 34.8 m -105.69 132.71 51.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.588 ' CD2' HD11 ' A' ' 18' ' ' LEU . 12.5 m-85 -99.37 147.0 25.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -58.58 -23.97 59.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.0 mmtt -128.56 168.8 15.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.9 ptm -81.6 -44.82 16.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.883 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -39.47 -47.16 1.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.437 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 37.9 m -57.17 -50.04 74.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.822 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -38.72 -60.86 0.78 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.14 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.36 -42.51 98.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.489 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 25.8 mt-30 -53.52 -66.04 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -49.23 -62.02 1.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.675 HG22 HG12 ' A' ' 81' ' ' VAL . 13.9 t -48.83 -20.92 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -85.42 -35.0 21.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.105 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -98.08 -57.63 2.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.638 HD12 ' CE2' ' A' ' 34' ' ' PHE . 10.1 mt -54.66 -16.61 2.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -63.93 112.69 3.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 64.6 17.54 62.53 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.45 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.625 HG23 HG13 ' A' ' 74' ' ' VAL . 1.3 t -80.99 150.19 29.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.733 0.301 . . . . 0.0 111.138 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -111.82 97.28 6.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.625 HG13 HG23 ' A' ' 72' ' ' THR . 3.3 m -114.61 141.69 30.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.554 ' HG3' HD21 ' A' ' 29' ' ' LEU . 5.8 mm-40 55.17 31.07 15.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.3 m 67.03 26.94 8.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.824 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 19.8 t -136.31 123.86 33.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.152 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -75.99 110.42 10.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.3 mt -98.6 137.06 37.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.3 mtmt -118.78 109.51 16.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.675 HG12 HG22 ' A' ' 66' ' ' VAL . 5.0 t -106.3 149.22 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -152.82 146.18 24.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.431 HG12 HG11 ' A' ' 66' ' ' VAL . 7.2 mm -69.79 100.45 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.51 ' HB3' ' OE1' ' A' ' 87' ' ' GLN . . . -44.86 113.76 0.61 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -77.12 149.49 35.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.0 mttp 57.47 48.87 13.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.51 ' OE1' ' HB3' ' A' ' 84' ' ' ALA . 16.6 pt20 -107.54 82.08 1.23 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.611 0.719 . . . . 0.0 110.907 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 178.03 4.96 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.72 2.28 . . . . 0.0 112.368 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 23.6 mtt -46.6 101.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.8 tt -73.42 -51.4 17.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -75.83 120.73 21.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.814 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 85.5 p -165.59 168.65 16.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 172.59 153.75 9.65 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -38.18 8.11 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.75 2.3 . . . . 0.0 112.342 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.2 t -111.39 124.06 51.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 61.8 m -93.88 117.84 30.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.914 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.481 -179.923 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.456 -0.257 . . . . 0.0 112.456 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 1' ' ' GLY . 58.7 m -36.15 117.37 0.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.878 0.37 . . . . 0.0 110.85 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -149.98 172.03 15.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.826 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.68 134.76 11.81 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.522 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.9 p -146.08 163.81 34.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.872 0.367 . . . . 0.0 110.88 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.0 p -131.38 164.59 25.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.854 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.8 -77.96 0.31 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.45 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -72.2 120.06 17.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.882 0.372 . . . . 0.0 110.862 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -96.14 82.12 3.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.64 160.82 29.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.79 151.26 8.5 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.547 0.689 . . . . 0.0 111.145 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 143.25 50.09 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.694 2.262 . . . . 0.0 112.314 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -44.69 166.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -56.5 137.72 52.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -150.8 108.65 0.39 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.468 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -110.23 -50.59 2.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.896 0.379 . . . . 0.0 110.894 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.4 m -84.59 153.54 23.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.152 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.798 HD21 ' HA ' ' A' ' 62' ' ' ALA . 4.9 mt -134.9 134.22 40.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -85.04 109.49 18.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.553 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 18.5 t -105.51 146.56 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.114 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -139.19 130.23 26.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.932 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.441 ' HA3' ' CG ' ' A' ' 25' ' ' MET . . . -143.27 -177.46 18.25 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.496 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -125.2 -51.59 1.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.842 0.353 . . . . 0.0 110.884 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.437 ' O ' HG21 ' A' ' 77' ' ' VAL . 11.1 m-20 -117.96 45.25 2.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.441 ' CG ' ' HA3' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -115.36 160.09 20.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.7 p -130.48 155.74 80.64 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.603 0.716 . . . . 0.0 111.173 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_exo -47.87 -59.19 1.34 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.386 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 99.5 m -49.18 -33.59 12.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.455 HD23 ' O ' ' A' ' 29' ' ' LEU . 5.3 tt -66.02 -47.56 74.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.939 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.7 mt -61.82 -28.75 69.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -60.31 -44.01 95.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -90.29 -9.85 64.7 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.505 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.36 -33.86 15.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.805 0.336 . . . . 0.0 111.115 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.559 ' CE2' HD12 ' A' ' 69' ' ' LEU . 35.3 m-85 -95.4 -17.8 21.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.575 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -62.88 -46.16 87.58 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.687 0.756 . . . . 0.0 110.839 -179.797 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' ' 35' ' ' SER . 65.4 Cg_exo -48.02 -19.8 1.78 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.673 2.249 . . . . 0.0 112.316 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -89.82 -38.82 13.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -172.98 -127.77 1.0 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.491 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -125.02 136.01 53.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.799 0.333 . . . . 0.0 110.893 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.586 HG21 ' HB2' ' A' ' 43' ' ' LEU . 37.4 mt -98.58 104.92 16.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.102 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.1 pt -91.73 -18.57 7.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -150.49 107.78 3.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.825 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.86 HD13 HG22 ' A' ' 54' ' ' VAL . 10.8 tp -130.38 112.98 13.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.2 m -125.73 145.57 50.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.937 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 2.3 mmm -122.19 146.25 47.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.549 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 0.6 OUTLIER -128.98 95.66 31.0 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.566 0.698 . . . . 0.0 110.844 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.59 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 65.0 Cg_exo -48.05 -43.29 30.89 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.327 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.7 Cg_exo -48.03 -59.73 1.14 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.697 2.265 . . . . 0.0 112.339 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -91.9 3.6 54.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 48.87 41.09 17.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 25.7 p -117.94 175.88 5.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.937 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -153.57 135.93 14.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.097 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -108.77 106.35 16.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.86 HG22 HD13 ' A' ' 43' ' ' LEU . 49.2 t -105.11 122.03 57.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.115 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.5 m -106.1 129.65 54.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.175 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.552 ' CE2' HD11 ' A' ' 18' ' ' LEU . 21.0 m-85 -97.73 142.63 29.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -54.15 -26.71 29.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.865 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.429 ' HA ' ' NZ ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -127.07 168.14 15.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.3 ptp -82.65 -39.86 21.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -42.16 -42.21 2.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.519 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 21.6 m -63.95 -47.84 78.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.808 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.798 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -40.51 -58.86 1.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.073 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -62.77 -39.4 94.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.831 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.408 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 12.6 mt-30 -58.35 -67.4 0.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -45.7 -57.36 4.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.053 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.713 HG21 HD13 ' A' ' 83' ' ' ILE . 14.0 t -56.62 -18.02 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.118 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -90.1 -35.78 15.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -98.03 -58.36 2.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.559 HD12 ' CE2' ' A' ' 34' ' ' PHE . 9.4 mt -53.43 -38.26 63.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -39.74 116.73 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 55.93 35.74 64.61 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.455 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.448 HG22 ' O ' ' A' ' 69' ' ' LEU . 6.7 t -90.59 167.18 12.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.749 0.309 . . . . 0.0 111.123 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -127.47 95.99 4.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.4 m -118.13 143.15 29.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.446 ' CB ' HD11 ' A' ' 29' ' ' LEU . 46.8 mm-40 54.21 29.28 10.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.1 m 67.56 29.27 7.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.437 HG21 ' O ' ' A' ' 24' ' ' ASP . 43.7 t -137.49 120.73 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -71.74 112.54 7.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.5 mt -99.45 138.48 36.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.972 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.93 109.51 15.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.52 HG12 HG22 ' A' ' 66' ' ' VAL . 13.9 t -108.18 145.79 14.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -145.31 158.16 43.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.713 HD13 HG21 ' A' ' 66' ' ' VAL . 8.6 mm -77.18 97.24 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -48.54 122.34 5.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -69.31 -39.59 78.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -74.34 88.6 2.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -125.25 77.11 68.08 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.606 0.717 . . . . 0.0 110.938 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -178.54 2.39 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.664 2.243 . . . . 0.0 112.364 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 13.3 ptm -62.74 99.32 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.89 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.1 mt -132.23 139.05 48.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.937 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -131.65 176.61 8.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.873 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 89.4 p -137.0 131.56 33.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -93.29 146.59 18.19 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.506 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -0.68 7.27 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.692 2.262 . . . . 0.0 112.339 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 96' ' ' SER . 3.2 t -50.45 121.77 6.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.845 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 95' ' ' SER . 18.7 m -38.42 -56.33 1.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.535 179.986 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.3 t -106.02 118.54 36.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.85 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 5' ' ' SER . 77.3 p -66.63 -28.19 68.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 54.11 -84.0 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.553 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.477 ' N ' ' O ' ' A' ' 3' ' ' SER . 4.9 t -53.93 125.32 18.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.83 0.348 . . . . 0.0 110.871 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.1 p -75.18 124.44 27.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.815 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.08 -41.73 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.455 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -86.75 54.68 3.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.858 0.361 . . . . 0.0 110.864 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -116.11 35.84 4.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.9 tpp85 -53.72 138.15 35.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.703 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -85.09 164.2 42.44 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.556 0.693 . . . . 0.0 111.101 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.703 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 53.9 Cg_endo -69.79 159.07 54.73 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.716 2.277 . . . . 0.0 112.307 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? -111.63 132.22 54.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -42.7 133.31 3.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -130.77 156.65 21.79 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.504 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.542 ' ND2' ' O ' ' A' ' 56' ' ' TYR . 2.0 t-20 -115.34 -39.16 3.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.887 0.375 . . . . 0.0 110.86 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.721 ' O ' HD23 ' A' ' 18' ' ' LEU . 1.4 m -85.28 156.22 21.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.733 HD21 ' HA ' ' A' ' 62' ' ' ALA . 10.8 mt -136.74 126.02 24.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.942 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -80.03 105.48 11.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.449 HG13 HG22 ' A' ' 81' ' ' VAL . 5.1 t -95.99 140.5 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.101 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -132.99 116.81 16.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.948 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -139.22 178.23 19.7 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.468 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.538 ' CD ' ' N ' ' A' ' 23' ' ' GLU . 2.7 mp0 -117.98 -70.5 0.79 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.889 0.376 . . . . 0.0 110.86 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -101.86 53.23 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.587 ' HG2' HD21 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -123.79 150.28 44.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.4 p -122.41 158.6 55.57 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.557 0.694 . . . . 0.0 111.123 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -47.99 -55.57 3.89 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.686 2.257 . . . . 0.0 112.321 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.8 m -47.34 -37.15 10.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.47 HD11 ' CB ' ' A' ' 75' ' ' GLU . 5.6 tt -66.24 -52.91 43.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.1 mt -58.11 -28.95 65.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.442 ' HA ' ' CD1' ' A' ' 40' ' ' ILE . 65.2 mtp85 -60.15 -46.68 88.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -87.66 -5.48 78.26 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.513 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.51 -31.71 12.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.357 . . . . 0.0 111.123 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.594 ' CE2' HD12 ' A' ' 69' ' ' LEU . 33.8 m-85 -96.19 -26.17 15.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.579 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -53.84 -46.23 98.56 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.707 0.765 . . . . 0.0 110.887 -179.787 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 35' ' ' SER . 64.8 Cg_exo -47.97 -32.17 17.41 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.682 2.254 . . . . 0.0 112.341 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -82.36 -38.45 24.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.48 -162.08 22.17 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.474 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -96.02 120.74 36.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.828 0.346 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.442 ' CD1' ' HA ' ' A' ' 31' ' ' ARG . 56.7 mt -81.47 109.44 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.7 pt -99.41 -30.12 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -136.52 107.13 6.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.726 HD13 HG22 ' A' ' 54' ' ' VAL . 6.7 tp -127.66 110.25 12.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 m -117.45 137.4 52.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.822 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.849 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 7.8 mmm -125.29 130.37 51.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.541 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 16.9 t70 -123.35 95.56 45.27 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.567 0.699 . . . . 0.0 110.793 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.584 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 66.1 Cg_exo -48.02 -43.31 30.67 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.67 2.247 . . . . 0.0 112.362 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.1 Cg_exo -47.92 -64.54 0.23 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.673 2.248 . . . . 0.0 112.343 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.62 -1.54 31.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 m120 52.75 44.22 30.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.7 p -144.86 175.51 10.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.849 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -152.94 171.12 18.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.073 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -134.4 100.9 4.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.868 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.726 HG22 HD13 ' A' ' 43' ' ' LEU . 63.6 t -95.37 126.18 47.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 59.3 m -107.25 144.36 34.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.542 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 13.8 m-85 -113.5 142.36 46.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.92 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 63.4 tt0 -55.17 -21.48 13.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -131.73 152.2 51.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -73.62 -23.36 59.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -58.77 -42.09 88.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.475 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 23.5 m -64.78 -34.41 78.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.733 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -49.14 -59.48 3.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.129 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -64.12 -34.87 79.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.471 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 22.2 mt-30 -60.6 -68.12 0.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -48.11 -54.82 11.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.768 HG21 HD13 ' A' ' 83' ' ' ILE . 5.5 t -54.81 -15.64 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -90.86 -35.78 14.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -98.0 -58.98 1.85 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.594 HD12 ' CE2' ' A' ' 34' ' ' PHE . 9.4 mt -54.65 -22.96 15.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.934 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.03 114.04 2.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 65.69 14.99 61.36 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.481 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.445 HG23 HG13 ' A' ' 74' ' ' VAL . 1.5 t -77.24 160.98 28.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.759 0.314 . . . . 0.0 111.094 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -124.43 94.99 4.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.445 HG13 HG23 ' A' ' 72' ' ' THR . 3.1 m -112.41 141.74 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.47 ' CB ' HD11 ' A' ' 29' ' ' LEU . 5.6 mm-40 55.08 32.08 17.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 48.7 m 64.46 30.27 13.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.865 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 94.9 t -137.29 111.86 9.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.161 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -67.88 110.1 3.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.587 HD21 ' HG2' ' A' ' 25' ' ' MET . 38.5 mt -100.56 140.84 34.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -121.15 106.27 11.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.449 HG22 HG13 ' A' ' 20' ' ' VAL . 6.0 t -106.92 137.86 35.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -140.99 155.76 46.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.768 HD13 HG21 ' A' ' 66' ' ' VAL . 17.5 mm -69.35 95.14 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.115 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -39.73 101.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -64.73 -7.49 11.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.7 ptmt -115.85 86.79 2.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -116.39 78.88 8.62 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.617 0.722 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 89' ' ' MET . 53.5 Cg_endo -69.77 -177.22 1.78 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.702 2.268 . . . . 0.0 112.311 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.408 ' C ' ' O ' ' A' ' 88' ' ' PRO . 36.6 mtm -37.77 100.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.5 tt -84.46 103.15 13.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -76.2 108.7 9.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 89.4 p -109.64 -45.31 3.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.827 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 160.21 148.59 5.3 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.514 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -13.03 34.0 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.679 2.253 . . . . 0.0 112.33 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 70.9 p -45.76 100.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 18.0 t -146.43 158.15 43.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.506 179.983 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.6 m -101.61 101.11 11.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.87 0.367 . . . . 0.0 110.872 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -117.25 148.84 41.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.28 -166.55 29.38 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.509 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 t -173.01 176.28 3.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.902 0.382 . . . . 0.0 110.823 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.4 m -67.22 110.46 3.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.886 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.52 143.25 13.49 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.493 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -111.67 29.67 7.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.876 0.369 . . . . 0.0 110.875 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.6 mtm-85 -73.22 121.94 21.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -42.47 112.42 0.35 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -87.03 150.67 50.38 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.528 0.68 . . . . 0.0 111.12 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 125.33 12.02 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.642 2.228 . . . . 0.0 112.375 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -92.19 159.22 15.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.02 51.75 8.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.426 ' O ' ' CB ' ' A' ' 62' ' ' ALA . . . -68.95 -175.6 11.25 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -105.33 -39.24 6.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.904 0.383 . . . . 0.0 110.916 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.403 HG23 ' OG1' ' A' ' 55' ' ' THR . 0.9 OUTLIER -85.14 147.36 26.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.868 HD21 ' HA ' ' A' ' 62' ' ' ALA . 7.4 mt -129.42 127.88 41.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -80.08 112.54 17.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.569 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 21.8 t -108.28 142.2 21.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.091 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -138.95 122.5 17.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -137.47 -176.74 14.6 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.544 ' CD ' ' N ' ' A' ' 23' ' ' GLU . 2.8 mp0 -117.02 -66.2 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.869 0.366 . . . . 0.0 110.871 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -107.51 51.12 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.552 ' HB3' HG11 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -117.62 151.77 36.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.9 p -121.43 155.54 59.0 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.604 0.716 . . . . 0.0 111.125 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.489 ' N ' ' HE2' ' A' ' 45' ' ' MET . 65.6 Cg_exo -48.03 -58.3 1.83 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.715 2.276 . . . . 0.0 112.328 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.2 m -50.25 -32.04 15.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.171 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.415 ' HG ' ' CD ' ' A' ' 75' ' ' GLU . 5.5 tt -66.19 -50.99 61.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.953 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.3 mt -59.0 -31.32 68.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.1 mtm180 -55.84 -44.2 77.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.842 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -89.78 -9.46 66.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.533 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.45 -33.85 16.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.801 0.334 . . . . 0.0 111.096 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.569 ' CZ ' HG21 ' A' ' 20' ' ' VAL . 19.4 m-85 -95.94 -24.59 16.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.573 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -55.88 -46.21 99.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.688 0.756 . . . . 0.0 110.829 -179.765 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.573 ' CD ' ' N ' ' A' ' 35' ' ' SER . 64.8 Cg_exo -47.96 -27.28 8.56 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.662 2.241 . . . . 0.0 112.342 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.564 ' HE1' HD21 ' A' ' 69' ' ' LEU . 76.8 m-85 -82.2 -35.35 28.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -175.24 -122.02 0.67 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.481 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -132.53 131.08 41.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.785 0.326 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.558 HD11 ' HB2' ' A' ' 34' ' ' PHE . 49.6 mt -92.53 115.1 30.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.3 pt -98.12 -28.9 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.166 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -139.34 107.7 5.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.638 HD13 HG22 ' A' ' 54' ' ' VAL . 5.7 tp -127.92 112.73 15.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.2 p -126.92 133.51 50.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.799 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 1.3 mmt -112.72 133.47 54.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.551 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 61.4 m-20 -115.37 95.61 43.35 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.631 0.729 . . . . 0.0 110.874 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.59 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 64.1 Cg_exo -47.96 -43.34 30.27 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.656 2.237 . . . . 0.0 112.358 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.2 Cg_exo -47.97 -64.8 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.658 2.239 . . . . 0.0 112.372 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 50' ' ' ASN . 7.7 mmm180 -87.36 17.9 4.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.913 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 49' ' ' ARG . 78.4 m-20 36.29 41.54 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 18.0 p -126.76 -178.59 4.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.799 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -157.2 167.09 31.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.115 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -134.62 103.78 5.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.638 HG22 HD13 ' A' ' 43' ' ' LEU . 47.9 t -101.09 125.62 55.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.403 ' OG1' HG23 ' A' ' 17' ' ' THR . 14.6 m -111.46 129.78 55.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.705 ' CD2' HD11 ' A' ' 18' ' ' LEU . 21.8 m-85 -96.65 149.28 21.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -67.31 -32.69 73.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -115.5 110.86 19.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.448 ' O ' ' N ' ' A' ' 62' ' ' ALA . 19.0 ptp -34.75 -48.17 0.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 59' ' ' MET . 12.2 pt-20 -35.22 -51.94 0.58 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.451 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 27.4 m -53.05 -44.61 67.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.839 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.868 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -36.93 -64.48 0.35 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.056 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.3 -44.35 95.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -48.65 -61.74 1.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -52.44 -63.25 1.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.545 HG22 HG12 ' A' ' 81' ' ' VAL . 11.9 t -51.82 -19.21 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.06 -38.58 16.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -98.04 -57.01 2.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.564 HD21 ' HE1' ' A' ' 37' ' ' PHE . 9.3 mt -53.07 -39.64 63.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 69' ' ' LEU . 1.1 t30 -37.38 116.54 0.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 53.87 41.14 66.66 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.489 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.486 HG23 HG13 ' A' ' 74' ' ' VAL . 7.2 t -96.41 156.43 16.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.766 0.317 . . . . 0.0 111.149 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -113.12 95.15 5.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.486 HG13 HG23 ' A' ' 72' ' ' THR . 2.0 m -118.01 139.48 45.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.415 ' CD ' ' HG ' ' A' ' 29' ' ' LEU . 13.2 mt-10 52.09 34.26 13.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 32.7 m 62.43 32.17 16.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.825 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.552 HG11 ' HB3' ' A' ' 25' ' ' MET . 50.9 t -138.53 115.5 11.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.143 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -70.33 108.92 4.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 15.5 mt -96.37 141.37 29.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -121.53 107.89 12.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.545 HG12 HG22 ' A' ' 66' ' ' VAL . 3.5 t -106.27 144.15 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -151.84 138.78 19.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.446 HG12 HG11 ' A' ' 66' ' ' VAL . 16.7 mm -65.8 97.83 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -38.63 158.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.111 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.5 tpp180 -114.06 -41.41 3.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.7 ttpp -93.49 47.74 1.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -113.36 79.05 3.71 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.547 0.689 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 178.41 4.6 Favored 'Trans proline' 0 N--CA 1.466 -0.133 0 C-N-CA 122.707 2.271 . . . . 0.0 112.337 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -48.22 107.35 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.9 tt -107.59 93.77 4.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -156.67 131.77 9.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.4 t -123.86 167.12 14.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 112.65 -174.38 16.0 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.482 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 98.84 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.651 2.234 . . . . 0.0 112.358 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.8 m 49.23 46.44 22.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 88.8 p -61.72 -41.74 98.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.459 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -158.22 138.22 12.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 0.0 110.863 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.8 m -127.53 119.29 25.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.14 -129.01 8.99 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.467 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.5 p -97.13 155.86 16.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.931 0.396 . . . . 0.0 110.855 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.4 p -127.02 100.53 6.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 47.74 83.56 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.514 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -75.03 106.42 6.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.809 0.337 . . . . 0.0 110.884 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.7 ptp85 -79.33 125.21 29.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.98 173.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -153.8 148.1 19.18 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.611 0.72 . . . . 0.0 111.097 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 144.94 55.45 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.681 2.254 . . . . 0.0 112.306 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.431 ' C ' ' NE ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -116.19 75.85 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.7 pttp -164.53 133.67 3.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 161.31 163.25 13.92 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 56' ' ' TYR . 3.9 t-20 -120.76 -38.9 2.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.939 0.399 . . . . 0.0 110.888 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.784 ' O ' HD23 ' A' ' 18' ' ' LEU . 2.0 m -86.28 156.18 20.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.839 HD21 ' HA ' ' A' ' 62' ' ' ALA . 10.7 mt -140.28 124.89 18.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -82.07 104.44 12.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.571 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 38.3 t -97.05 149.39 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.173 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -140.78 131.62 25.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.922 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.447 ' HA3' ' CG ' ' A' ' 25' ' ' MET . . . -147.78 -177.14 21.94 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.471 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -127.46 -49.2 1.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.803 0.335 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -118.55 43.82 2.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.447 ' CG ' ' HA3' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -115.51 154.16 29.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.6 p -125.82 156.79 70.76 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.586 0.708 . . . . 0.0 111.131 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.446 ' N ' ' HE2' ' A' ' 45' ' ' MET . 64.4 Cg_exo -47.97 -60.11 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.683 2.255 . . . . 0.0 112.386 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.4 m -48.67 -30.65 5.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.167 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.596 HD21 ' HG3' ' A' ' 75' ' ' GLU . 6.0 tt -69.64 -53.0 20.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.1 mt -58.62 -27.3 64.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.914 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 31' ' ' ARG . 7.8 mtp-105 -62.48 -44.97 95.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -87.32 -7.15 76.94 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.481 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.411 ' C ' ' HD2' ' A' ' 36' ' ' PRO . . . -96.3 -35.44 11.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.832 0.349 . . . . 0.0 111.112 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.571 ' CZ ' HG21 ' A' ' 20' ' ' VAL . 29.9 m-85 -92.23 -20.26 21.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.847 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.579 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -60.08 -46.09 97.97 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.649 0.737 . . . . 0.0 110.832 -179.776 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 35' ' ' SER . 63.9 Cg_exo -47.96 -25.26 6.09 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.633 2.222 . . . . 0.0 112.376 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.505 ' HE1' HD21 ' A' ' 69' ' ' LEU . 82.8 m-85 -87.01 -28.4 22.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 177.77 -137.44 3.4 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -119.21 127.82 53.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.758 0.314 . . . . 0.0 110.896 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.458 HG21 ' HB2' ' A' ' 43' ' ' LEU . 38.4 mt -89.99 106.86 17.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.8 pt -93.93 -22.32 5.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -145.5 111.64 5.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 1.017 HD13 HG22 ' A' ' 54' ' ' VAL . 20.4 tp -135.3 109.17 8.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.3 m -117.08 134.2 55.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.716 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 2.3 mmm -116.6 129.22 56.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.541 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 1.6 m-20 -120.66 95.65 48.95 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.637 0.732 . . . . 0.0 110.857 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.582 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 65.1 Cg_exo -47.98 -43.28 30.55 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.701 2.267 . . . . 0.0 112.348 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.6 Cg_exo -48.04 -51.51 9.84 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.68 2.253 . . . . 0.0 112.335 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 66.3 mmt-85 -96.41 12.73 30.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.6 m120 38.98 36.82 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 26.3 p -132.56 171.51 13.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.716 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -150.42 165.38 33.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -127.94 102.09 6.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 1.017 HG22 HD13 ' A' ' 43' ' ' LEU . 65.6 t -98.33 123.51 50.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.158 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.9 m -107.63 135.96 48.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.519 ' CE2' HD11 ' A' ' 18' ' ' LEU . 15.0 m-85 -103.79 142.48 34.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -52.9 -35.62 58.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.3 167.37 10.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 9.8 ptp -83.48 -35.35 24.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -47.46 -50.9 21.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.505 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 67.2 m -51.35 -49.88 60.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.839 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -37.95 -58.95 0.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.099 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.05 -37.93 89.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.448 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 24.7 mt-30 -57.79 -66.9 0.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -47.28 -55.98 7.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.912 HG21 HD13 ' A' ' 83' ' ' ILE . 13.7 t -53.51 -17.34 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.07 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -91.2 -39.52 12.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -97.91 -58.39 2.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.606 ' HB3' HG21 ' A' ' 81' ' ' VAL . 9.1 mt -56.67 -13.15 2.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.405 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -70.85 115.86 10.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 179.894 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 65.92 13.83 60.05 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.519 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.608 HG23 HG13 ' A' ' 74' ' ' VAL . 1.3 t -78.43 153.35 31.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.751 0.31 . . . . 0.0 111.16 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -114.8 95.07 5.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.608 HG13 HG23 ' A' ' 72' ' ' THR . 3.2 m -110.93 141.59 25.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.099 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.596 ' HG3' HD21 ' A' ' 29' ' ' LEU . 5.8 mm-40 54.51 34.96 22.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.0 m 62.43 28.87 17.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.821 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 70.6 t -138.04 117.61 15.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -68.92 107.31 3.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 79' ' ' LEU . 10.9 mt -94.15 130.13 40.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.57 108.33 18.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.909 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.606 HG21 ' HB3' ' A' ' 69' ' ' LEU . 3.6 t -109.14 135.27 48.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -138.25 155.3 48.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.912 HD13 HG21 ' A' ' 66' ' ' VAL . 13.9 mm -69.82 96.17 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.158 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -40.15 120.07 1.13 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 41.6 mtp180 -89.28 33.65 0.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.3 ttpt -120.88 36.22 4.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -125.08 83.73 60.12 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.584 0.707 . . . . 0.0 110.971 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -175.15 1.06 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.632 2.221 . . . . 0.0 112.361 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 34.5 ttm -74.93 113.62 12.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.7 mt -113.64 77.46 1.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.26 125.18 26.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.82 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.8 t -78.38 170.73 16.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -94.79 178.68 36.53 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -49.43 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.678 2.252 . . . . 0.0 112.353 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 92.0 p -54.0 177.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.8 m -157.1 170.23 22.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.831 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.498 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.9 m -118.67 80.97 1.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.914 0.388 . . . . 0.0 110.869 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.0 t -109.87 94.67 5.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.19 174.87 14.99 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.452 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.5 m -126.87 116.79 21.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.885 0.374 . . . . 0.0 110.852 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 t -170.35 178.06 3.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.53 -139.99 3.25 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.7 mp0 -55.85 110.87 0.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 110.87 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.9 mmt85 -45.64 129.54 8.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -94.56 170.3 9.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -103.88 143.64 27.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.581 0.705 . . . . 0.0 111.1 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 113.11 3.27 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.663 2.242 . . . . 0.0 112.366 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -67.75 163.74 20.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.401 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -162.4 148.48 12.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -173.56 148.2 10.04 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.526 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.7 p-10 -108.39 -36.4 6.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.926 0.393 . . . . 0.0 110.904 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.6 m -86.19 155.71 20.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.662 HD22 HG23 ' A' ' 66' ' ' VAL . 10.7 mt -139.91 127.4 21.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.469 ' HB3' ' ND2' ' A' ' 82' ' ' ASN . 29.4 t80 -85.71 111.64 20.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.669 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 42.1 t -102.63 151.28 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.12 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.455 ' CD1' ' N ' ' A' ' 22' ' ' GLY . 10.3 t80 -133.4 145.49 50.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.455 ' N ' ' CD1' ' A' ' 21' ' ' TYR . . . -165.12 -179.97 39.34 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.505 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -133.47 -39.88 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.35 . . . . 0.0 110.841 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -124.48 41.16 3.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.439 ' HG2' HD21 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -115.35 157.54 23.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 47.8 p -130.9 155.64 81.19 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.598 0.713 . . . . 0.0 111.114 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -48.01 -57.24 2.46 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.682 2.255 . . . . 0.0 112.322 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 52.1 m -46.85 -34.04 5.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.118 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.523 HD11 ' CB ' ' A' ' 75' ' ' GLU . 5.6 tt -69.91 -50.34 43.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.511 HD11 ' SD ' ' A' ' 45' ' ' MET . 9.6 mt -59.38 -26.48 65.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -63.52 -43.56 96.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -90.93 -5.23 68.42 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.512 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.9 -35.51 10.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.79 0.329 . . . . 0.0 111.071 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.696 ' CE2' HD12 ' A' ' 69' ' ' LEU . 42.1 m-85 -93.5 -21.19 19.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.584 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -58.99 -45.94 99.55 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.645 0.736 . . . . 0.0 110.844 -179.774 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 35' ' ' SER . 66.1 Cg_exo -48.0 -33.98 21.8 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.73 2.287 . . . . 0.0 112.306 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.406 ' CZ ' ' HB2' ' A' ' 68' ' ' GLU . 88.1 m-85 -78.93 -36.3 41.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -178.09 -165.13 32.43 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.477 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -89.33 130.9 35.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.777 0.322 . . . . 0.0 110.902 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.445 HG21 ' HB2' ' A' ' 43' ' ' LEU . 60.4 mt -93.15 110.55 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 14.1 pt -95.88 -25.71 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.144 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -142.1 111.74 6.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.915 HD13 HG22 ' A' ' 54' ' ' VAL . 9.8 tp -133.41 111.21 10.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.944 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.4 p -122.04 141.38 51.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.878 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 2.8 mmm -123.22 135.05 54.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.542 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 9.7 m-20 -120.18 95.52 49.1 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.54 0.686 . . . . 0.0 110.886 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.596 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 64.4 Cg_exo -47.95 -43.39 30.09 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.7 2.267 . . . . 0.0 112.329 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 64.6 Cg_exo -47.9 -58.31 1.82 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 51' ' ' CYS . 8.4 mmt85 -92.48 15.72 13.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 38.65 30.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.412 ' N ' ' O ' ' A' ' 49' ' ' ARG . 72.6 m -116.25 -177.33 3.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.878 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -159.97 175.77 12.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.501 ' CD1' ' C ' ' A' ' 52' ' ' ALA . 1.5 m-85 -146.49 108.77 4.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.915 HG22 HD13 ' A' ' 43' ' ' LEU . 49.0 t -106.81 133.97 49.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.4 m -112.82 140.82 47.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.592 ' CD2' ' HB3' ' A' ' 61' ' ' SER . 20.7 m-85 -109.08 141.66 40.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -58.62 -23.29 58.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 33.8 mttm -122.22 169.8 10.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.842 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.8 ptp -84.57 -46.84 11.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -42.37 -42.95 3.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.592 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 36.4 m -58.59 -48.8 79.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.643 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -44.8 -56.91 4.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.15 -45.09 86.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.833 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.523 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 18.3 mt-30 -52.6 -65.46 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -46.89 -62.29 1.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.087 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.693 HG21 HD13 ' A' ' 83' ' ' ILE . 9.8 t -50.35 -18.39 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.168 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -87.47 -35.13 18.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.076 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.406 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 10.4 mt-10 -98.13 -58.28 2.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.696 HD12 ' CE2' ' A' ' 34' ' ' PHE . 8.9 mt -53.39 -26.49 19.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -52.33 117.02 2.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 56.65 22.15 38.52 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.453 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.581 HG23 HG13 ' A' ' 74' ' ' VAL . 1.3 t -81.18 155.21 26.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.787 0.327 . . . . 0.0 111.135 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -116.85 95.39 4.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.581 HG13 HG23 ' A' ' 72' ' ' THR . 3.3 m -114.31 142.22 27.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.117 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.523 ' CB ' HD11 ' A' ' 29' ' ' LEU . 8.5 mm-40 54.37 34.78 21.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.7 m 63.59 29.97 15.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 41.4 t -138.02 121.6 20.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.089 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -76.09 102.64 5.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.439 HD21 ' HG2' ' A' ' 25' ' ' MET . 29.0 mt -92.43 141.78 28.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.4 ttmm -122.73 112.0 17.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.431 HG12 HG22 ' A' ' 66' ' ' VAL . 4.2 t -109.96 145.27 16.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.469 ' ND2' ' HB3' ' A' ' 19' ' ' TYR . 2.3 p30 -147.83 151.38 35.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.693 HD13 HG21 ' A' ' 66' ' ' VAL . 10.9 mm -72.55 94.7 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -40.3 122.64 1.6 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.077 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -65.86 -47.39 75.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -87.94 99.32 12.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.928 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -127.47 77.19 76.16 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.634 0.73 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -176.11 1.37 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.675 2.25 . . . . 0.0 112.339 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 5.7 mmt 47.16 38.57 6.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.3 tt -119.76 -59.58 1.79 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -38.45 -45.63 1.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 79.0 p -39.58 109.63 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.831 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -154.24 83.82 0.15 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -33.06 17.14 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.659 2.239 . . . . 0.0 112.338 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.8 t -113.77 134.33 54.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 54.5 p -171.29 149.02 2.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.488 -179.963 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.4 m -131.53 132.64 44.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.9 0.381 . . . . 0.0 110.865 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.5 p -53.21 -49.64 66.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.842 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.4 63.83 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.3 m -102.12 110.5 22.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.899 0.38 . . . . 0.0 110.842 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 t -169.6 115.75 0.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.41 121.6 1.89 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.483 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -51.12 -53.85 30.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.891 0.377 . . . . 0.0 110.928 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 55.0 mtp85 61.19 38.79 16.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 -120.04 107.61 13.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -43.44 143.73 1.43 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.563 0.696 . . . . 0.0 111.117 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 95.94 0.57 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.655 2.236 . . . . 0.0 112.34 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.413 ' HB2' ' NH1' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -41.74 123.26 2.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.2 ptmm? -112.19 -49.68 2.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.45 114.22 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.509 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 -119.5 -39.29 2.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.898 0.38 . . . . 0.0 110.849 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.667 ' O ' HD23 ' A' ' 18' ' ' LEU . 2.8 m -84.16 151.99 24.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.667 HD23 ' O ' ' A' ' 17' ' ' THR . 10.3 mt -137.41 126.26 24.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -80.98 118.67 22.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.95 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.472 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 4.6 t -114.04 142.63 26.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.136 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -133.43 124.66 27.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.416 ' HA3' ' CG ' ' A' ' 25' ' ' MET . . . -138.78 -175.61 14.09 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.522 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -131.57 -42.25 1.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.914 0.387 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.526 ' O ' HG21 ' A' ' 77' ' ' VAL . 0.9 OUTLIER -122.74 43.48 2.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.416 ' CG ' ' HA3' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -118.96 151.9 37.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.8 p -121.97 158.21 55.57 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.541 0.686 . . . . 0.0 111.165 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -48.01 -55.47 3.99 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.657 2.238 . . . . 0.0 112.353 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.9 m -57.77 -30.55 65.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.164 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.441 ' CG ' ' HG3' ' A' ' 75' ' ' GLU . 6.0 tt -65.27 -47.5 76.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.435 HD11 ' CE ' ' A' ' 45' ' ' MET . 12.0 mt -64.0 -30.27 71.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.0 mtp180 -56.21 -41.05 74.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -92.37 -6.0 64.85 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.531 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.31 -33.66 13.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 0.0 111.105 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.637 ' CE2' HD12 ' A' ' 69' ' ' LEU . 35.0 m-85 -95.78 -29.31 14.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.575 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -51.34 -45.95 89.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.637 0.732 . . . . 0.0 110.841 -179.756 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' ' 35' ' ' SER . 64.8 Cg_exo -48.02 -20.56 2.18 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.708 2.272 . . . . 0.0 112.343 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -91.79 -35.78 13.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.67 -137.19 2.41 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -117.59 123.16 45.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.753 0.311 . . . . 0.0 110.89 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.586 HG21 ' HB2' ' A' ' 43' ' ' LEU . 49.9 mt -83.89 105.44 13.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.198 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.2 pt -91.05 -16.7 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -151.42 111.02 4.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.821 HD13 HG22 ' A' ' 54' ' ' VAL . 10.6 tp -133.81 109.68 9.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.9 t -120.29 148.54 43.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.435 ' CE ' HD11 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -125.49 141.86 51.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.548 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 42.1 m-20 -130.07 95.48 28.08 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.622 0.725 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.592 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 64.8 Cg_exo -47.93 -43.27 30.28 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.658 2.239 . . . . 0.0 112.41 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.592 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.6 Cg_exo -48.0 -65.32 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.705 2.27 . . . . 0.0 112.317 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.8 mmm-85 -85.98 0.8 52.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 49.92 50.51 18.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 26.4 p -134.35 175.42 9.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.413 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -153.82 152.34 30.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -117.15 102.73 9.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.899 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.821 HG22 HD13 ' A' ' 43' ' ' LEU . 66.4 t -101.6 117.53 47.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.089 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 53.2 m -106.03 135.26 47.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.402 ' CD2' HD11 ' A' ' 18' ' ' LEU . 29.4 m-85 -101.76 145.93 28.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -60.42 -18.36 50.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -129.18 157.31 42.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.418 ' HG2' ' N ' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -77.9 -29.66 50.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.897 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.418 ' N ' ' HG2' ' A' ' 59' ' ' MET . 2.5 pt-20 -59.36 -33.95 71.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.5 m -70.97 -36.59 72.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.866 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.575 ' HB1' HD21 ' A' ' 18' ' ' LEU . . . -53.58 -53.78 46.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.12 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.419 ' CG ' ' N ' ' A' ' 64' ' ' GLN . 0.2 OUTLIER -64.4 -47.42 79.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.476 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 32.9 mt-30 -51.55 -64.35 0.84 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -46.14 -61.97 1.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.098 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.527 HG21 HD13 ' A' ' 83' ' ' ILE . 12.9 t -51.1 -20.19 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -87.13 -35.89 18.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -98.03 -58.09 2.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.637 HD12 ' CE2' ' A' ' 34' ' ' PHE . 8.7 mt -54.81 -20.99 9.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.445 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -63.15 118.65 8.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.931 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 65.78 13.03 58.48 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.561 HG23 HG13 ' A' ' 74' ' ' VAL . 1.1 t -75.43 158.69 32.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.788 0.328 . . . . 0.0 111.138 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -120.7 95.0 4.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.561 HG13 HG23 ' A' ' 72' ' ' THR . 3.2 m -112.0 141.86 26.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.441 ' HG3' ' CG ' ' A' ' 29' ' ' LEU . 5.2 mm-40 52.07 39.45 26.51 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.7 m 58.57 29.01 17.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.526 HG21 ' O ' ' A' ' 24' ' ' ASP . 95.1 t -138.16 118.05 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.153 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -69.52 111.36 5.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.7 mt -95.1 133.03 39.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -114.08 106.64 14.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.527 HG12 HG22 ' A' ' 66' ' ' VAL . 14.0 t -105.45 149.55 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -152.79 149.16 28.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.527 HD13 HG21 ' A' ' 66' ' ' VAL . 9.2 mm -68.92 95.3 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.131 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 83' ' ' ILE . . . -37.12 106.68 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.061 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.81 -18.76 65.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.8 tptm -102.05 83.65 2.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -121.95 83.79 44.15 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.596 0.712 . . . . 0.0 110.935 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -179.67 3.09 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.69 2.26 . . . . 0.0 112.293 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 28.2 ttp -72.97 120.34 18.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.2 mp -62.87 122.61 16.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -132.69 112.08 11.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 23.0 t -55.69 -54.29 46.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -178.07 146.09 7.32 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.521 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -27.9 25.77 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.688 2.259 . . . . 0.0 112.333 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.8 t -65.92 153.97 40.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.848 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 m -112.85 110.39 20.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.837 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.456 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.0 p -119.42 -179.34 3.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.871 0.367 . . . . 0.0 110.866 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.6 m 49.01 46.72 22.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.854 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.9 114.94 2.32 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.9 p -171.64 134.34 0.82 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.888 0.375 . . . . 0.0 110.85 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.2 p -131.76 144.03 50.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.71 131.1 10.13 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.509 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -93.35 -55.62 3.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.887 0.375 . . . . 0.0 110.909 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 83.1 mtt180 -80.42 171.9 14.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 45.8 mtt180 -89.49 -35.7 15.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -175.03 144.79 0.84 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.585 0.707 . . . . 0.0 111.12 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.471 ' O ' ' C ' ' A' ' 13' ' ' ARG . 53.8 Cg_endo -69.77 2.9 3.12 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.686 2.257 . . . . 0.0 112.342 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.471 ' C ' ' O ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER 31.29 43.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.4 pttm -119.86 -11.51 9.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.38 164.42 47.96 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.475 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.535 ' ND2' ' O ' ' A' ' 56' ' ' TYR . 1.9 t-20 -113.01 -29.33 7.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.936 0.398 . . . . 0.0 110.891 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.865 ' O ' HD23 ' A' ' 18' ' ' LEU . 3.0 m -86.03 156.16 20.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.13 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.865 HD23 ' O ' ' A' ' 17' ' ' THR . 11.1 mt -138.42 127.05 23.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -83.85 102.46 12.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.956 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.537 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 41.7 t -96.14 145.87 8.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.163 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -135.62 132.74 37.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.97 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.422 ' HA3' ' CG ' ' A' ' 25' ' ' MET . . . -151.55 178.97 28.56 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.435 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -126.35 -48.75 1.56 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.868 0.366 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -118.8 45.96 1.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.422 ' CG ' ' HA3' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -115.18 157.87 23.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.1 p -129.33 153.99 80.59 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.57 0.7 . . . . 0.0 111.109 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_exo -47.98 -62.56 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.682 2.255 . . . . 0.0 112.325 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 86.4 m -45.9 -31.45 2.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.414 HD11 ' CB ' ' A' ' 75' ' ' GLU . 5.6 tt -69.38 -49.25 57.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.2 mt -61.09 -30.58 70.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.932 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.461 ' HA ' ' CD1' ' A' ' 40' ' ' ILE . 13.6 mtp85 -58.02 -44.41 87.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -89.38 -11.07 64.93 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.499 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.69 -32.62 16.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.802 0.334 . . . . 0.0 111.128 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.537 ' CZ ' HG21 ' A' ' 20' ' ' VAL . 28.1 m-85 -95.36 -28.03 15.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.93 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.574 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -52.51 -46.09 95.44 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.672 0.749 . . . . 0.0 110.871 -179.776 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 35' ' ' SER . 64.5 Cg_exo -47.97 -21.43 2.69 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.671 2.247 . . . . 0.0 112.339 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -91.9 -29.31 16.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 177.99 -139.76 4.35 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.523 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -115.05 122.28 45.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.748 0.309 . . . . 0.0 110.962 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.516 HG21 ' HB2' ' A' ' 43' ' ' LEU . 35.9 mt -83.34 105.4 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.086 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.5 pt -94.34 -21.01 5.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.152 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -143.77 106.04 4.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.881 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.728 HD13 HG22 ' A' ' 54' ' ' VAL . 6.9 tp -130.75 111.62 12.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.538 ' O ' ' HB1' ' A' ' 52' ' ' ALA . 9.1 t -121.53 145.59 47.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.637 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 1.8 mmt -130.62 135.91 48.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.535 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 16.0 t0 -132.64 95.54 19.89 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.592 0.71 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.582 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 64.3 Cg_exo -47.91 -43.36 29.92 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.696 2.264 . . . . 0.0 112.34 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 64.8 Cg_exo -47.93 -63.24 0.33 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.698 2.265 . . . . 0.0 112.35 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.8 mmt85 -79.91 -0.87 36.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 m120 50.49 47.1 24.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.5 p -147.96 170.82 16.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.637 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -150.03 168.37 24.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -131.66 108.01 9.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.728 HG22 HD13 ' A' ' 43' ' ' LEU . 65.7 t -104.09 134.53 45.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 51.2 m -117.69 149.97 39.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.171 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.535 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 21.7 m-85 -118.46 141.12 48.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -58.97 -16.28 17.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -136.34 112.61 9.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.461 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 10.6 ptp -37.81 -42.37 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 59' ' ' MET . 16.3 pt-20 -37.09 -51.97 0.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.929 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 72.6 m -57.93 -40.4 80.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.574 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -40.82 -57.4 1.95 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.127 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.421 ' C ' ' OD1' ' A' ' 63' ' ' ASP . 1.6 t0 -65.73 -40.13 91.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.483 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 27.8 mt-30 -54.5 -65.76 0.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -46.78 -57.93 4.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.087 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.565 HG21 HG12 ' A' ' 83' ' ' ILE . 14.6 t -52.75 -18.69 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -87.75 -37.91 16.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.068 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -97.75 -58.97 1.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.534 HD12 ' CE2' ' A' ' 34' ' ' PHE . 10.4 mt -52.33 -32.47 38.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -50.22 117.3 2.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 58.67 26.41 60.01 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.517 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.629 HG23 HG13 ' A' ' 74' ' ' VAL . 1.4 t -88.4 155.29 19.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.712 0.291 . . . . 0.0 111.166 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -114.66 95.72 5.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.629 HG13 HG23 ' A' ' 72' ' ' THR . 3.6 m -113.66 140.11 35.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.09 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.414 ' CB ' HD11 ' A' ' 29' ' ' LEU . 5.6 mm-40 54.56 30.7 13.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 t 68.51 29.99 5.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 39.5 t -138.34 116.99 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.12 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -71.93 100.45 2.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.8 mt -89.91 136.98 32.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 27.1 mttm -119.28 108.78 15.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.466 HG22 HG22 ' A' ' 20' ' ' VAL . 4.6 t -110.5 140.14 30.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.142 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -145.04 141.84 29.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.565 HG12 HG21 ' A' ' 66' ' ' VAL . 6.1 mm -66.38 109.26 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.119 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 85' ' ' ARG . . . -51.83 164.17 0.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.138 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.427 ' O ' ' C ' ' A' ' 86' ' ' LYS . 30.6 mtp180 -36.62 153.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.832 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 85' ' ' ARG . 11.1 pttt -36.03 140.5 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -132.34 81.11 61.56 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.601 0.715 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -179.1 2.67 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.637 2.224 . . . . 0.0 112.365 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.422 ' O ' ' C ' ' A' ' 90' ' ' LEU . 24.8 mtm -97.0 74.56 2.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.778 HD23 ' H ' ' A' ' 90' ' ' LEU . 0.1 OUTLIER -35.95 127.76 0.7 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.962 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -113.39 -54.29 2.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.849 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.1 t 55.76 33.72 21.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.836 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 157.74 -95.95 0.15 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.499 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 122.09 8.76 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.681 2.254 . . . . 0.0 112.348 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 37.1 t -160.02 126.81 4.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.831 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 45.0 t -79.47 114.65 18.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.475 -179.958 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.8 m -99.6 96.71 7.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.916 0.389 . . . . 0.0 110.854 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t 59.94 42.37 16.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.845 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.52 88.82 0.19 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.476 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 m -73.52 -46.72 46.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.854 0.359 . . . . 0.0 110.897 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.4 p -88.51 149.64 23.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.801 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.32 108.32 0.58 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.462 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -69.59 95.58 0.86 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.835 0.35 . . . . 0.0 110.895 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.8 tpt85 -40.54 -45.07 2.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -38.79 121.64 1.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.04 152.41 86.42 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.643 0.735 . . . . 0.0 111.063 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 126.7 13.59 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.711 2.274 . . . . 0.0 112.279 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -91.26 141.77 28.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 42.4 mttt -61.35 153.33 27.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.953 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.453 ' O ' ' CB ' ' A' ' 62' ' ' ALA . . . -163.72 162.76 35.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.471 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 -109.51 -46.51 3.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.959 0.409 . . . . 0.0 110.936 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.3 m -84.6 153.66 23.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.789 HD21 ' HA ' ' A' ' 62' ' ' ALA . 7.3 mt -136.5 127.69 28.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -81.61 108.11 14.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.631 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 16.8 t -106.64 143.3 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.123 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.419 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 5.3 t80 -137.83 127.53 25.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.401 ' HA3' ' CG ' ' A' ' 25' ' ' MET . . . -138.84 -165.74 10.37 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.495 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -132.23 -56.4 0.97 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.891 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -114.15 41.58 2.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.457 ' HG2' ' CD2' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -109.95 151.79 26.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.6 p -124.6 156.91 67.22 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.663 0.744 . . . . 0.0 111.116 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -47.97 -62.56 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.661 2.241 . . . . 0.0 112.342 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 94.2 m -46.71 -34.18 4.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.167 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.447 HD23 ' O ' ' A' ' 29' ' ' LEU . 5.5 tt -66.79 -47.76 71.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.6 mt -61.12 -30.76 70.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.7 mtp180 -59.19 -41.11 87.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -91.35 -7.49 65.27 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.459 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.14 -34.55 13.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.81 0.338 . . . . 0.0 111.083 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.631 ' CZ ' HG21 ' A' ' 20' ' ' VAL . 36.9 m-85 -94.41 -22.75 18.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.572 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -58.37 -46.09 99.65 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.631 0.729 . . . . 0.0 110.856 -179.799 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 35' ' ' SER . 64.2 Cg_exo -47.9 -19.16 1.36 Allowed 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.691 2.26 . . . . 0.0 112.381 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.469 ' HE1' HD21 ' A' ' 69' ' ' LEU . 82.7 m-85 -91.36 -37.07 13.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.25 -129.4 1.17 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.508 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -123.82 133.77 53.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.81 0.338 . . . . 0.0 110.901 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.487 HG21 ' HB2' ' A' ' 43' ' ' LEU . 33.5 mt -96.7 113.72 31.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.082 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.5 pt -99.51 -24.01 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -141.67 107.75 5.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.714 HD13 HG22 ' A' ' 54' ' ' VAL . 8.1 tp -129.9 110.15 11.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.3 t -129.76 134.8 47.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.828 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.827 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 0.8 OUTLIER -107.32 151.45 25.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.87 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.544 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 16.7 t70 -129.18 95.6 30.53 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.586 0.708 . . . . 0.0 110.845 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.596 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 65.1 Cg_exo -47.96 -43.42 30.05 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.753 2.302 . . . . 0.0 112.297 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 64.0 Cg_exo -47.93 -65.2 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.698 2.265 . . . . 0.0 112.359 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -89.59 12.36 16.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.0 m120 40.85 44.06 1.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 7.5 p -120.68 -177.92 3.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.827 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -156.79 148.53 22.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.083 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -119.64 102.77 8.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.714 HG22 HD13 ' A' ' 43' ' ' LEU . 45.8 t -101.65 115.2 42.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.148 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.3 m -97.32 139.79 32.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.543 ' CE2' HD11 ' A' ' 18' ' ' LEU . 14.5 m-85 -107.57 142.16 37.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -58.64 -19.9 43.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -128.15 166.55 18.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.25 -21.05 27.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.834 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -61.39 -45.02 96.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.48 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 48.9 m -59.76 -48.5 81.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.789 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -40.31 -60.9 0.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.089 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -63.26 -41.0 98.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.436 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 9.0 mt-30 -55.43 -67.21 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -47.23 -59.98 2.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 1.027 HG21 HD13 ' A' ' 83' ' ' ILE . 17.5 t -47.99 -21.68 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -88.75 -36.84 15.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.065 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -97.58 -58.44 2.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.604 HD12 ' CE2' ' A' ' 34' ' ' PHE . 9.8 mt -54.93 -17.12 3.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -65.89 118.36 9.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 61.17 18.01 53.85 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.492 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.594 HG23 HG13 ' A' ' 74' ' ' VAL . 1.3 t -82.56 153.62 25.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.743 0.306 . . . . 0.0 111.124 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -114.9 95.12 5.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.594 HG13 HG23 ' A' ' 72' ' ' THR . 3.2 m -109.71 140.69 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.405 ' HG3' HD21 ' A' ' 29' ' ' LEU . 8.6 mm-40 55.39 29.1 12.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.4 p 68.92 29.3 5.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 43.1 t -138.24 118.91 16.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.132 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -73.42 112.79 9.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.457 ' CD2' ' HG2' ' A' ' 25' ' ' MET . 46.8 mt -102.52 140.55 36.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -118.19 106.11 12.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.515 HG22 HG22 ' A' ' 20' ' ' VAL . 16.7 t -104.69 145.87 12.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -147.08 155.58 42.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 1.027 HD13 HG21 ' A' ' 66' ' ' VAL . 14.6 mm -73.14 94.87 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.091 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.79 157.73 1.13 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.092 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.01 30.1 5.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -105.36 41.4 1.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.936 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -124.49 75.18 62.46 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.578 0.704 . . . . 0.0 110.925 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 -171.56 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.68 2.253 . . . . 0.0 112.363 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 49.5 tpp -73.37 127.36 32.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.8 mp -89.31 42.75 1.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -66.15 -60.34 2.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.0 p -78.8 166.75 22.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.42 96.06 0.51 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.512 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 89.54 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.693 2.262 . . . . 0.0 112.372 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.2 t 68.17 41.25 1.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 80.6 p -147.71 138.76 23.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.531 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.5 m -109.44 106.53 16.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.908 0.385 . . . . 0.0 110.807 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -156.66 109.2 2.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.827 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.32 -139.89 3.39 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.5 p -94.21 159.26 15.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.91 0.386 . . . . 0.0 110.835 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.6 m -102.97 127.82 50.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.46 149.1 18.04 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.479 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 9' ' ' ARG . 4.6 tp10 -82.97 105.32 13.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.855 0.36 . . . . 0.0 110.876 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 8' ' ' GLU . 17.9 ptt180 34.34 43.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.478 ' HB3' ' CZ ' ' A' ' 10' ' ' ARG . 9.0 ttp-105 -117.21 124.74 49.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -134.07 150.78 75.24 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.592 0.71 . . . . 0.0 111.059 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 99.61 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.676 2.251 . . . . 0.0 112.374 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -73.11 -52.84 12.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.06 155.17 20.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.451 ' O ' ' HB2' ' A' ' 62' ' ' ALA . . . 174.06 94.21 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.447 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -107.88 -39.84 5.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.905 0.383 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.569 ' O ' HD23 ' A' ' 18' ' ' LEU . 9.1 m -88.73 156.16 19.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.848 HD21 ' HA ' ' A' ' 62' ' ' ALA . 8.8 mt -139.34 128.28 23.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -81.35 108.87 15.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.659 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 21.5 t -108.68 146.56 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.129 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -143.09 118.08 10.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.42 -174.92 13.83 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.514 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.548 ' CD ' ' N ' ' A' ' 23' ' ' GLU . 2.8 mp0 -117.36 -70.32 0.8 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.855 0.36 . . . . 0.0 110.868 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -103.5 52.68 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.508 ' HG2' HD21 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -120.41 149.52 42.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.7 p -120.06 156.44 54.62 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.617 0.723 . . . . 0.0 111.107 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_exo -47.99 -53.04 7.22 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.648 2.232 . . . . 0.0 112.346 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 59.8 m -55.62 -33.38 63.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.122 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 29' ' ' LEU . 5.7 tt -65.17 -47.14 78.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.8 mt -62.32 -31.47 72.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.517 ' HG2' HD23 ' A' ' 43' ' ' LEU . 42.4 mtt-85 -56.04 -43.12 77.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.859 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -90.93 -4.5 69.23 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.07 -32.78 12.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.854 0.359 . . . . 0.0 111.098 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.659 ' CZ ' HG21 ' A' ' 20' ' ' VAL . 23.8 m-85 -95.46 -26.63 15.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.586 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -51.62 -46.03 91.11 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.661 0.743 . . . . 0.0 110.846 -179.756 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 35' ' ' SER . 66.1 Cg_exo -48.0 -37.75 30.4 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.697 2.264 . . . . 0.0 112.318 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.433 ' HE1' HD21 ' A' ' 69' ' ' LEU . 93.3 m-85 -76.42 -37.79 56.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.08 -166.55 32.37 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.504 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -92.54 117.35 29.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.353 . . . . 0.0 110.85 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.439 HG21 ' HB2' ' A' ' 43' ' ' LEU . 33.4 mt -76.33 114.34 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.1 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.449 HG21 ' OE1' ' A' ' 57' ' ' GLU . 13.1 pt -101.47 -18.9 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.163 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -149.03 108.43 3.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.963 HD13 HG22 ' A' ' 54' ' ' VAL . 12.8 tp -134.6 113.18 11.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.4 m -127.02 145.5 50.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.752 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 0.9 OUTLIER -121.46 136.04 54.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.542 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 4.5 m-20 -122.09 95.68 47.2 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.612 0.72 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.585 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 65.1 Cg_exo -47.97 -43.31 30.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.671 2.247 . . . . 0.0 112.349 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.6 Cg_exo -48.01 -32.74 18.87 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.705 2.27 . . . . 0.0 112.319 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.6 mmm-85 -120.94 14.58 11.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.1 m120 36.54 37.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 27.4 p -122.63 170.09 10.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.752 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -145.52 157.84 43.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -127.55 101.2 6.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.963 HG22 HD13 ' A' ' 43' ' ' LEU . 45.6 t -98.31 125.63 51.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.177 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.9 m -108.81 136.61 48.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.622 ' CD2' HD11 ' A' ' 18' ' ' LEU . 28.4 m-85 -107.17 144.44 33.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.449 ' OE1' HG21 ' A' ' 41' ' ' ILE . 7.8 tp10 -60.24 -34.59 73.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.9 148.73 31.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.32 -25.93 63.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.835 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -57.76 -44.11 85.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.466 ' HB2' ' CB ' ' A' ' 56' ' ' TYR . 50.7 m -59.22 -48.66 80.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.848 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -40.97 -56.35 2.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.043 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -67.61 -42.62 82.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.458 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 20.3 mt-30 -55.34 -67.65 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -45.0 -57.49 3.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.12 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.733 HG21 HD13 ' A' ' 83' ' ' ILE . 15.9 t -53.79 -21.53 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -84.41 -37.01 21.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.413 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 10.4 mt-10 -97.6 -58.34 2.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 65' ' ' ALA . 8.6 mt -52.43 -22.87 5.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -59.11 115.77 3.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 59.27 25.81 60.72 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.526 HG23 HG13 ' A' ' 74' ' ' VAL . 1.9 t -86.25 159.22 19.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.767 0.318 . . . . 0.0 111.178 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -118.84 95.17 4.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.526 HG13 HG23 ' A' ' 72' ' ' THR . 3.7 m -112.71 139.93 35.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 54.55 33.74 19.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 48.1 m 64.83 29.82 12.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 49.5 t -138.48 124.17 24.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.179 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -77.51 112.93 14.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.96 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.508 HD21 ' HG2' ' A' ' 25' ' ' MET . 14.4 mt -100.79 138.12 38.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.942 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -116.81 106.67 13.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.565 HG13 HG22 ' A' ' 20' ' ' VAL . 6.3 t -106.6 149.85 9.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.14 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 43.0 m-20 -152.82 150.26 29.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.733 HD13 HG21 ' A' ' 66' ' ' VAL . 15.8 mm -67.95 97.14 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.167 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.57 105.13 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.067 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -57.94 -48.67 79.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -81.57 99.19 8.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -120.01 80.94 26.96 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.55 0.691 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -3.68 12.46 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.663 2.242 . . . . 0.0 112.38 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 54.9 mtp -98.03 113.96 25.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -118.39 115.66 25.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -72.95 121.9 20.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.2 t -145.58 128.55 16.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 131.79 138.34 4.17 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.467 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 104.63 1.35 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.685 2.257 . . . . 0.0 112.386 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 69.9 m -82.87 40.12 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.8 m 38.22 41.71 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.859 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.481 -179.992 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -47.69 172.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.874 0.368 . . . . 0.0 110.819 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 t -105.22 157.13 17.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.805 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.85 -62.86 3.21 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.499 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -92.56 -51.96 4.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.893 0.378 . . . . 0.0 110.87 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 t -56.34 155.11 7.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.29 -103.12 1.78 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.5 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -132.49 143.1 49.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.82 0.343 . . . . 0.0 110.921 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 60.0 mtm180 -76.1 156.86 33.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -109.35 88.54 2.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -128.86 148.93 70.81 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.608 0.718 . . . . 0.0 111.061 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -173.18 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.637 2.225 . . . . 0.0 112.323 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 41.35 44.64 2.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.1 tttt -105.41 -48.35 3.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.939 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.16 90.32 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.495 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 -109.1 -44.09 4.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.951 0.405 . . . . 0.0 110.916 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.7 m -84.33 149.36 26.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.171 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.753 HD11 ' CD2' ' A' ' 56' ' ' TYR . 7.7 mt -132.76 128.8 37.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -82.56 110.71 17.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.547 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 17.3 t -103.51 147.03 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.12 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.506 ' HD1' ' HG ' ' A' ' 51' ' ' CYS . 8.5 t80 -137.55 139.61 40.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.409 ' HA3' ' CG ' ' A' ' 25' ' ' MET . . . -158.64 178.7 34.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.455 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.542 ' CD ' ' N ' ' A' ' 23' ' ' GLU . 2.8 mp0 -119.1 -61.15 1.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.881 0.372 . . . . 0.0 110.896 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -109.96 50.6 0.79 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.468 ' HG2' HD21 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -120.8 150.31 41.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.6 p -122.1 158.52 55.02 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.538 0.685 . . . . 0.0 111.16 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -47.95 -61.68 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.69 2.26 . . . . 0.0 112.363 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 94.7 m -44.56 -35.88 2.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.451 HD11 ' CB ' ' A' ' 75' ' ' GLU . 6.1 tt -65.14 -53.23 48.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.5 mt -56.43 -31.62 64.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.442 ' HG2' HD23 ' A' ' 43' ' ' LEU . 35.7 mtp180 -58.72 -40.57 84.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -91.56 -5.35 67.0 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.494 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.7 -33.82 12.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.803 0.335 . . . . 0.0 111.103 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.669 ' CE2' HD12 ' A' ' 69' ' ' LEU . 35.0 m-85 -94.6 -25.31 16.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.576 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -56.84 -45.93 99.9 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.679 0.752 . . . . 0.0 110.863 -179.756 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' ' 35' ' ' SER . 65.9 Cg_exo -47.99 -20.32 2.03 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.677 2.252 . . . . 0.0 112.309 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -90.61 -33.6 15.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -178.41 -124.49 0.87 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.459 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -125.73 140.67 52.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.853 0.359 . . . . 0.0 110.883 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.578 HD11 ' HB2' ' A' ' 34' ' ' PHE . 68.3 mt -104.15 110.3 29.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.2 pt -95.3 -24.23 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -143.42 113.76 7.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.841 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.696 HD13 HG22 ' A' ' 54' ' ' VAL . 4.3 tp -135.95 112.88 10.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.45 ' N ' HD12 ' A' ' 43' ' ' LEU . 6.9 t -122.65 147.3 46.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.617 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 0.3 OUTLIER -127.7 141.67 51.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.543 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 8.6 m-20 -126.87 95.6 36.9 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.596 0.713 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.597 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 64.8 Cg_exo -47.97 -43.39 30.19 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.679 2.252 . . . . 0.0 112.321 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.0 Cg_exo -47.92 -62.13 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.657 2.238 . . . . 0.0 112.392 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -85.99 -2.9 58.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.8 m120 55.87 35.69 25.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.506 ' HG ' ' HD1' ' A' ' 21' ' ' TYR . 50.7 m -121.65 -178.36 3.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.617 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -156.98 172.69 18.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.087 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -142.36 109.05 5.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.696 HG22 HD13 ' A' ' 43' ' ' LEU . 60.6 t -106.02 132.94 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.152 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.4 m -116.08 128.95 56.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.183 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.753 ' CD2' HD11 ' A' ' 18' ' ' LEU . 27.3 m-85 -96.24 143.12 27.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -58.47 -18.7 30.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -132.46 163.02 29.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.39 -23.48 30.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -62.88 -19.95 64.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.3 m -90.83 -30.17 17.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.706 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -55.69 -54.45 44.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.079 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.36 -39.45 92.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.43 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 40.3 mt-30 -56.77 -68.21 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -46.47 -56.99 5.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.93 HG21 HD13 ' A' ' 83' ' ' ILE . 12.0 t -54.86 -17.31 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.155 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -91.46 -33.78 15.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -97.54 -58.0 2.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.888 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.669 HD12 ' CE2' ' A' ' 34' ' ' PHE . 9.2 mt -55.84 -21.11 18.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -55.77 115.85 2.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 56.75 23.91 46.4 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.48 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.616 HG23 HG13 ' A' ' 74' ' ' VAL . 1.3 t -82.76 154.12 24.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.719 0.295 . . . . 0.0 111.14 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -114.93 95.48 5.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.616 HG13 HG23 ' A' ' 72' ' ' THR . 3.2 m -115.87 143.91 24.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.451 ' CB ' HD11 ' A' ' 29' ' ' LEU . 6.0 mm-40 53.83 36.77 24.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.1 m 61.6 28.38 17.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 94.7 t -138.02 127.01 32.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.137 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -80.24 105.51 11.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.468 HD21 ' HG2' ' A' ' 25' ' ' MET . 40.4 mt -95.73 141.24 29.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.04 113.43 19.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.613 HG12 HG22 ' A' ' 66' ' ' VAL . 8.0 t -109.37 145.11 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -148.14 157.28 43.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.93 HD13 HG21 ' A' ' 66' ' ' VAL . 11.0 mm -77.26 95.01 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -40.88 120.27 1.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 6.4 ttp-105 -69.45 -23.34 63.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.89 103.88 10.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -119.65 71.26 14.03 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.597 0.713 . . . . 0.0 110.937 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.492 ' O ' ' N ' ' A' ' 90' ' ' LEU . 54.0 Cg_endo -69.75 -174.68 0.95 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.713 2.275 . . . . 0.0 112.371 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.401 ' C ' ' O ' ' A' ' 88' ' ' PRO . 19.0 mmt 37.36 28.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.704 HD23 ' O ' ' A' ' 90' ' ' LEU . 0.5 OUTLIER -66.54 161.01 23.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -53.15 136.34 36.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 44.9 t -169.96 149.68 3.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 127.33 67.85 0.15 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.449 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -23.44 30.83 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.701 2.267 . . . . 0.0 112.363 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 59.7 p -44.97 136.46 4.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.8 t -42.96 158.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.497 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 t -70.77 -46.07 63.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.883 0.373 . . . . 0.0 110.899 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.8 m -59.08 142.16 52.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 168.05 55.99 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 4' ' ' GLY . 60.2 p 37.38 45.42 0.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.88 0.371 . . . . 0.0 110.877 -179.725 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 7' ' ' GLY . 55.5 m -92.71 98.18 11.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 36.75 44.95 0.99 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.516 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -64.29 123.98 20.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.875 0.369 . . . . 0.0 110.877 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 -104.9 172.12 6.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.413 ' C ' ' HD2' ' A' ' 10' ' ' ARG . 3.6 ppt_? -124.37 155.08 39.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.488 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -117.52 157.28 47.98 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.566 0.698 . . . . 0.0 111.13 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.488 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 53.7 Cg_endo -69.79 124.95 11.57 Favored 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.671 2.247 . . . . 0.0 112.377 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -60.23 104.25 0.3 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -152.9 146.97 25.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 156.72 158.56 8.94 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.513 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -115.19 -39.38 3.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.9 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.3 m -87.36 151.77 22.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.166 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.831 HD21 ' HA ' ' A' ' 62' ' ' ALA . 4.6 mt -129.89 131.7 46.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -87.11 98.91 11.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.95 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.7 t -94.13 139.59 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.117 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -141.23 122.51 14.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -137.49 -153.45 6.35 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.454 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -131.07 -61.68 0.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.834 0.35 . . . . 0.0 110.893 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -114.13 42.7 2.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.524 ' SD ' HD22 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -103.26 139.92 38.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 73.4 p -114.15 155.52 45.43 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.602 0.715 . . . . 0.0 111.113 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -47.95 -61.1 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.705 2.27 . . . . 0.0 112.368 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 90.0 m -49.5 -33.18 13.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.527 HD11 ' CB ' ' A' ' 75' ' ' GLU . 6.0 tt -66.42 -48.83 68.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.3 mt -59.85 -28.07 67.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.444 ' HB3' ' NH1' ' A' ' 31' ' ' ARG . 9.2 mtp-105 -63.4 -39.01 93.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -92.94 -11.56 58.74 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.24 -30.64 13.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.826 0.346 . . . . 0.0 111.084 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.483 ' CZ ' HD13 ' A' ' 69' ' ' LEU . 17.9 m-85 -96.52 -22.74 16.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.587 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -55.36 -46.0 99.77 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.65 0.738 . . . . 0.0 110.864 -179.788 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 35' ' ' SER . 64.8 Cg_exo -47.97 -23.44 4.31 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.661 2.241 . . . . 0.0 112.355 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.526 ' CE2' ' HG ' ' A' ' 69' ' ' LEU . 90.8 m-85 -88.89 -35.8 16.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 179.78 -158.14 21.58 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.485 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -96.16 137.26 35.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.34 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.445 HD11 ' HB2' ' A' ' 34' ' ' PHE . 88.9 mt -99.55 112.11 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.1 pt -99.89 -20.96 5.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -146.54 106.62 4.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.934 HD13 HG22 ' A' ' 54' ' ' VAL . 3.8 tp -128.27 115.6 18.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.588 ' O ' ' HB1' ' A' ' 52' ' ' ALA . 29.1 t -122.16 149.89 42.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.823 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.52 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 0.5 OUTLIER -133.37 140.32 47.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.918 179.913 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.546 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 15.5 m-20 -130.77 95.6 25.58 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.588 0.709 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.597 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 65.7 Cg_exo -47.99 -43.27 30.63 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.731 2.287 . . . . 0.0 112.298 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 64.8 Cg_exo -47.91 -59.89 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.724 2.283 . . . . 0.0 112.354 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -88.8 5.23 44.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 47.61 35.1 4.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 12.7 p -125.45 -179.09 4.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.588 ' HB1' ' O ' ' A' ' 44' ' ' SER . . . -160.73 169.28 23.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.081 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -134.41 102.26 5.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.934 HG22 HD13 ' A' ' 43' ' ' LEU . 66.6 t -100.33 132.4 46.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.118 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 27.0 m -114.55 138.48 50.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.588 ' CD2' HD11 ' A' ' 18' ' ' LEU . 13.2 m-85 -106.23 140.98 38.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -53.22 -23.51 8.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -125.42 162.83 23.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.5 ptm -82.21 -29.9 31.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.481 ' HG3' ' N ' ' A' ' 61' ' ' SER . 10.1 pt-20 -55.25 -43.1 74.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.481 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 53.8 m -64.35 -36.75 85.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.909 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.831 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -51.21 -54.93 21.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.155 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -67.5 -31.46 71.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.478 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 34.4 mt-30 -61.03 -65.44 0.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -47.51 -57.33 5.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.461 HG21 HG12 ' A' ' 83' ' ' ILE . 8.2 t -54.04 -15.69 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -91.19 -40.8 11.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -98.14 -59.02 1.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.526 ' HG ' ' CE2' ' A' ' 37' ' ' PHE . 11.2 mt -54.97 -14.35 1.45 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -66.07 118.33 9.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 60.65 20.97 57.3 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.558 HG23 HG13 ' A' ' 74' ' ' VAL . 1.3 t -87.01 154.17 20.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.738 0.304 . . . . 0.0 111.131 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -115.08 97.92 6.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.558 HG13 HG23 ' A' ' 72' ' ' THR . 3.4 m -111.72 142.55 23.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.527 ' CB ' HD11 ' A' ' 29' ' ' LEU . 55.7 mm-40 54.86 25.14 6.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.2 m 74.75 28.37 1.17 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.611 HG12 HD23 ' A' ' 79' ' ' LEU . 84.1 t -138.54 117.09 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.144 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -74.47 104.32 5.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.611 HD23 HG12 ' A' ' 77' ' ' VAL . 7.8 mt -92.43 150.6 20.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -127.14 107.67 10.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.934 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.432 ' CG1' ' HB3' ' A' ' 18' ' ' LEU . 2.4 t -104.09 129.68 55.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -136.87 137.36 39.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.461 HG12 HG21 ' A' ' 66' ' ' VAL . 7.7 mm -65.86 98.04 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -39.73 142.98 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.092 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -108.1 -13.32 14.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.475 ' CD ' ' O ' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -102.06 31.97 3.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -113.97 80.27 5.28 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.595 0.712 . . . . 0.0 110.891 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 179.48 3.68 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.671 2.247 . . . . 0.0 112.363 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 20.4 ttp -43.53 102.72 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.5 tt -88.25 -60.73 1.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -71.32 105.15 3.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.1 t -148.8 173.26 13.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 159.43 84.78 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.477 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -35.32 12.73 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.703 2.268 . . . . 0.0 112.32 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 7.1 t 65.52 53.97 1.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.822 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.0 p -135.85 144.72 45.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.83 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.509 179.97 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.3 m -67.01 150.38 49.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.884 0.373 . . . . 0.0 110.894 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.6 t -106.38 135.65 47.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.16 -77.38 1.18 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.5 p -80.86 145.93 31.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.846 0.355 . . . . 0.0 110.84 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 t -155.44 154.0 31.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.06 104.7 0.36 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.483 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -139.0 161.34 37.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.846 0.355 . . . . 0.0 110.902 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.61 141.14 23.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.2 mtp180 -82.97 107.1 15.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.419 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -149.88 155.4 38.03 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.536 0.684 . . . . 0.0 111.113 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.419 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 53.0 Cg_endo -69.82 139.86 41.03 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.695 2.263 . . . . 0.0 112.322 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -108.29 121.77 45.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.4 mttt -118.54 136.75 53.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -124.79 108.12 1.07 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.505 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.9 p-10 -114.97 -47.2 2.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.919 0.39 . . . . 0.0 110.89 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.5 m -84.99 152.69 23.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.177 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.668 HD22 HG23 ' A' ' 66' ' ' VAL . 10.5 mt -135.36 127.1 29.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.933 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -82.04 107.98 15.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.963 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.639 HG13 HG22 ' A' ' 81' ' ' VAL . 6.0 t -103.76 149.38 7.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.138 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.471 ' CD1' ' N ' ' A' ' 22' ' ' GLY . 11.9 t80 -132.98 148.63 52.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.471 ' N ' ' CD1' ' A' ' 21' ' ' TYR . . . -167.73 177.46 42.06 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.464 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -131.61 -34.56 1.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.922 0.391 . . . . 0.0 110.912 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -126.06 40.98 3.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.503 ' HG2' HD21 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -117.5 154.12 31.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.4 p -124.56 157.26 66.05 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.579 0.705 . . . . 0.0 111.148 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_exo -47.98 -62.52 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.693 2.262 . . . . 0.0 112.332 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 75.4 m -49.55 -33.35 14.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.155 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.6 tt -62.29 -47.14 85.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.928 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.4 mt -64.31 -31.86 73.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.96 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.708 ' CD ' HD23 ' A' ' 43' ' ' LEU . 31.5 mmm-85 -55.59 -49.09 73.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -83.61 -12.96 76.91 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.505 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.01 -30.49 19.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.83 0.347 . . . . 0.0 111.094 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.826 ' HB2' HD11 ' A' ' 40' ' ' ILE . 16.5 m-85 -96.71 -13.43 22.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.575 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 0.6 OUTLIER -57.29 -45.89 99.87 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.668 0.747 . . . . 0.0 110.824 -179.778 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' ' 35' ' ' SER . 65.7 Cg_exo -47.93 -51.67 9.51 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.743 2.296 . . . . 0.0 112.343 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.551 ' CE2' ' HG ' ' A' ' 69' ' ' LEU . 98.1 m-85 -61.65 -39.03 89.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 177.94 -155.6 17.6 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.452 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -97.07 142.78 28.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.778 0.323 . . . . 0.0 110.899 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.826 HD11 ' HB2' ' A' ' 34' ' ' PHE . 69.6 mt -102.36 109.83 27.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.137 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.8 pt -95.07 -26.36 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.122 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -139.06 112.77 8.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.894 HD13 HG22 ' A' ' 54' ' ' VAL . 7.7 tp -137.77 115.59 11.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.957 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.8 t -128.59 133.93 48.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.792 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 1.0 OUTLIER -111.93 136.0 51.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.548 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 21.9 m-20 -119.81 95.48 49.19 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.611 0.719 . . . . 0.0 110.932 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.591 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 64.8 Cg_exo -47.89 -43.39 29.74 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.703 2.268 . . . . 0.0 112.343 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.0 Cg_exo -47.97 -63.94 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.632 2.221 . . . . 0.0 112.367 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.83 10.36 11.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.1 m120 42.26 40.33 1.73 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 98.8 m -126.82 -177.37 4.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.792 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -156.5 164.85 37.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.088 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -136.28 105.4 5.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.894 HG22 HD13 ' A' ' 43' ' ' LEU . 40.6 t -103.42 136.56 35.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.146 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 50.2 m -116.06 145.08 43.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.479 ' CD2' HD11 ' A' ' 18' ' ' LEU . 24.7 m-85 -112.93 140.83 47.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -58.67 -22.82 57.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.6 mttp -130.03 135.44 48.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.421 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 9.8 ptp -55.12 -40.68 70.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 59' ' ' MET . 10.5 pt-20 -36.25 -53.3 0.82 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 62' ' ' ALA . 24.0 m -58.03 -48.86 78.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.632 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -33.79 -63.03 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.101 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -62.25 -44.62 96.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.465 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 23.5 mt-30 -52.81 -66.1 0.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.523 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . . . -48.35 -62.13 1.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.901 HG21 HD13 ' A' ' 83' ' ' ILE . 16.5 t -49.82 -21.8 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.125 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -84.89 -36.97 21.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.057 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -97.85 -58.42 1.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.551 ' HG ' ' CE2' ' A' ' 37' ' ' PHE . 9.0 mt -53.88 -15.22 1.23 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.19 108.56 3.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 68.37 22.03 74.52 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.428 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.647 HG23 HG13 ' A' ' 74' ' ' VAL . 3.0 t -85.74 151.13 24.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.703 0.287 . . . . 0.0 111.152 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -107.77 97.47 7.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.647 HG13 HG23 ' A' ' 72' ' ' THR . 3.3 m -114.9 140.04 38.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.084 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 55.25 29.06 12.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.6 t 69.88 29.77 3.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.856 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.5 t -138.54 125.53 26.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.12 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -78.15 102.66 7.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.503 HD21 ' HG2' ' A' ' 25' ' ' MET . 30.0 mt -93.3 139.98 30.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 38.3 mttp -120.43 108.28 13.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.639 HG22 HG13 ' A' ' 20' ' ' VAL . 12.5 t -106.52 148.04 11.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -148.1 160.11 43.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.901 HD13 HG21 ' A' ' 66' ' ' VAL . 10.6 mm -75.74 94.85 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.117 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -39.9 148.71 0.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -103.21 -18.62 14.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.406 ' HB3' ' NZ ' ' A' ' 86' ' ' LYS . 0.6 OUTLIER -98.2 46.39 1.01 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.951 179.906 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -126.49 81.58 67.82 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.589 0.709 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 178.59 4.41 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.679 2.253 . . . . 0.0 112.363 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.61 154.59 32.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.494 ' C ' HD12 ' A' ' 90' ' ' LEU . 0.6 OUTLIER -164.07 132.22 3.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -140.91 178.63 7.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.5 p -108.35 -52.92 2.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 177.4 -173.51 46.24 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.458 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -42.97 2.96 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.696 2.264 . . . . 0.0 112.367 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.3 p -49.52 156.06 0.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 21.5 m 58.63 42.33 20.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.491 179.995 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.2 p -107.9 117.89 35.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.878 0.371 . . . . 0.0 110.852 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.0 m -148.78 155.52 41.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.855 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.87 100.18 0.64 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.455 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m 52.44 41.18 30.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.869 0.366 . . . . 0.0 110.816 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.2 p -153.12 128.5 9.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.73 171.65 35.51 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.538 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -118.03 171.24 8.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.813 0.34 . . . . 0.0 110.909 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.8 mtt180 -98.72 115.26 28.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.4 mtm-85 -41.4 130.13 3.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -138.4 148.61 59.97 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.595 0.712 . . . . 0.0 111.102 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 119.7 6.6 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.73 2.287 . . . . 0.0 112.351 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.62 155.19 41.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.2 mtmm -91.73 133.66 35.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -147.74 132.87 4.43 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.6 p-10 -114.63 -47.79 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.894 0.378 . . . . 0.0 110.931 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.605 ' OG1' HD23 ' A' ' 90' ' ' LEU . 20.3 m -85.2 147.29 26.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.789 HD21 ' HA ' ' A' ' 62' ' ' ALA . 8.1 mt -127.71 136.86 52.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -91.98 110.92 22.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.942 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.547 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 13.6 t -106.07 149.7 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.168 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.4 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 9.2 t80 -138.86 120.43 15.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.967 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -135.76 -174.5 13.41 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.504 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -128.72 -60.08 1.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.901 0.382 . . . . 0.0 110.935 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -108.84 46.2 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.848 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.84 154.39 31.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 p -124.24 157.31 64.83 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-O 121.61 0.719 . . . . 0.0 111.107 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -48.0 -64.51 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.686 2.257 . . . . 0.0 112.305 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 94.7 m -46.05 -32.87 3.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.429 HD23 ' O ' ' A' ' 29' ' ' LEU . 5.5 tt -65.67 -48.56 71.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.9 mt -62.74 -31.45 72.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.467 ' HG2' HD23 ' A' ' 43' ' ' LEU . 23.7 mtm180 -55.67 -43.8 76.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -90.33 -3.37 72.38 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.511 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.59 -37.05 11.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.82 0.343 . . . . 0.0 111.089 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.668 ' CE2' HD12 ' A' ' 69' ' ' LEU . 41.9 m-85 -94.36 -17.93 22.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.586 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -58.88 -46.0 99.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.68 0.753 . . . . 0.0 110.866 -179.792 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 35' ' ' SER . 64.4 Cg_exo -47.97 -38.02 30.65 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.681 2.254 . . . . 0.0 112.355 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.491 ' HE1' HD21 ' A' ' 69' ' ' LEU . 86.7 m-85 -74.84 -37.74 62.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -176.85 -161.87 26.38 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.505 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -93.53 131.48 38.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.81 0.338 . . . . 0.0 110.852 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.487 HG21 ' HB2' ' A' ' 43' ' ' LEU . 45.9 mt -92.95 115.14 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.142 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.9 pt -99.45 -19.3 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.095 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -146.95 109.78 4.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.654 HD13 HG22 ' A' ' 54' ' ' VAL . 7.0 tp -132.42 106.21 7.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 29.7 t -117.33 143.74 45.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.931 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 20.9 mmm -126.84 127.42 44.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.542 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 28.8 m-20 -120.51 95.59 49.0 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.625 0.726 . . . . 0.0 110.865 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.579 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 63.8 Cg_exo -47.95 -43.31 30.28 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.668 2.245 . . . . 0.0 112.395 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.4 Cg_exo -47.98 -60.79 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.62 2.214 . . . . 0.0 112.378 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -85.3 4.76 33.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 44.91 53.77 7.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 29.2 p -148.41 175.96 10.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.931 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -153.75 165.79 34.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.079 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -128.47 103.68 7.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.654 HG22 HD13 ' A' ' 43' ' ' LEU . 44.9 t -102.72 114.78 43.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.2 m -101.28 144.18 30.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.158 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.641 ' CD2' HD11 ' A' ' 18' ' ' LEU . 15.1 m-85 -110.55 144.14 39.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.936 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -59.55 -18.06 37.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.868 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt -134.45 156.36 48.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.478 ' SD ' ' N ' ' A' ' 60' ' ' GLU . 4.2 ppp? -71.22 -46.36 61.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.88 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.478 ' N ' ' SD ' ' A' ' 59' ' ' MET . 16.8 pt-20 -37.99 -44.51 0.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.473 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 63.0 m -63.48 -51.23 66.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.789 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -39.38 -59.44 1.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.081 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -62.63 -45.17 94.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.466 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 35.7 mt-30 -51.65 -64.62 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -47.28 -59.43 3.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.565 HG22 HG12 ' A' ' 81' ' ' VAL . 10.8 t -53.22 -18.03 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -89.08 -36.94 15.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -97.98 -58.92 1.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.668 HD12 ' CE2' ' A' ' 34' ' ' PHE . 8.3 mt -51.89 -36.76 49.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 69' ' ' LEU . 0.5 OUTLIER -37.29 114.83 0.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 51.22 39.88 43.62 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.467 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.482 HG23 HG13 ' A' ' 74' ' ' VAL . 8.0 t -90.39 157.99 17.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.759 0.314 . . . . 0.0 111.142 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -114.13 95.37 5.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.482 HG13 HG23 ' A' ' 72' ' ' THR . 1.9 m -116.99 139.49 43.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.404 ' CD ' ' HG ' ' A' ' 29' ' ' LEU . 20.2 mt-10 54.14 29.91 11.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.4 p 69.24 31.59 3.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 77.1 t -138.3 128.4 34.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.13 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -81.47 109.44 15.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.1 mt -98.33 139.2 34.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.943 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 31.0 mttp -119.44 104.81 10.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.875 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.565 HG12 HG22 ' A' ' 66' ' ' VAL . 19.4 t -104.1 145.68 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.139 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -152.55 151.84 31.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 85' ' ' ARG . 10.4 mm -70.52 95.4 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.133 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 83' ' ' ILE . . . -34.07 95.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.085 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -66.8 156.0 36.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.914 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.457 ' C ' ' CD ' ' A' ' 88' ' ' PRO . 29.2 ttpt 58.89 51.93 6.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.499 ' N ' ' CD ' ' A' ' 88' ' ' PRO . 21.9 pt20 -117.63 51.08 1.12 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.581 0.705 . . . . 0.0 110.902 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 87' ' ' GLN . 53.4 Cg_endo -69.78 -2.59 10.44 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.687 2.258 . . . . 0.0 112.332 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.457 ' C ' HD12 ' A' ' 90' ' ' LEU . 8.2 mmt -123.35 36.35 4.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.605 HD23 ' OG1' ' A' ' 17' ' ' THR . 7.0 mp -132.7 92.59 3.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -161.3 136.37 7.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.6 m -129.68 141.53 50.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 130.66 -155.9 21.4 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.526 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 140.86 43.55 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.69 2.26 . . . . 0.0 112.317 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.1 t -141.9 147.85 37.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 21.2 m -111.1 156.67 20.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.469 -179.978 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -48.56 117.48 2.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.908 0.385 . . . . 0.0 110.826 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 t -43.2 -60.9 1.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.0 -103.38 0.55 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.482 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.9 p -165.89 175.7 8.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 0.0 110.865 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.2 m -130.42 103.69 6.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.48 120.28 4.65 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -113.41 -53.89 2.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.819 0.343 . . . . 0.0 110.859 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -102.2 46.21 0.94 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -65.25 150.49 48.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.757 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -101.54 165.41 14.11 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.574 0.702 . . . . 0.0 111.13 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.757 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 53.5 Cg_endo -69.77 0.44 5.64 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.724 2.283 . . . . 0.0 112.348 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -110.53 91.1 3.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.428 ' HD2' ' N ' ' A' ' 15' ' ' GLY . 0.0 OUTLIER -108.83 -32.99 7.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.463 ' O ' ' CB ' ' A' ' 62' ' ' ALA . . . -144.72 94.82 0.17 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.515 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -96.6 -41.18 8.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.927 0.394 . . . . 0.0 110.943 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.1 m -86.21 156.18 20.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.12 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.856 HD21 ' HA ' ' A' ' 62' ' ' ALA . 14.7 mt -134.87 128.58 32.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -84.4 111.61 19.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.461 HG22 HG13 ' A' ' 81' ' ' VAL . 16.0 t -108.35 147.5 13.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.096 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -140.8 123.18 15.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.923 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -137.93 -174.86 13.57 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.508 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -126.3 -60.52 1.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.35 . . . . 0.0 110.909 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -110.17 47.47 0.96 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.84 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.43 155.5 29.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.6 p -126.43 153.9 74.98 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.614 0.721 . . . . 0.0 111.112 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -47.97 -59.77 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.687 2.258 . . . . 0.0 112.365 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 54.2 m -45.92 -35.14 4.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.136 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.466 HD11 ' CB ' ' A' ' 75' ' ' GLU . 6.1 tt -66.76 -49.53 65.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.436 HD11 ' CE ' ' A' ' 45' ' ' MET . 15.1 mt -58.25 -31.12 67.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -58.84 -41.32 86.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.82 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -90.67 -9.65 64.2 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.504 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.12 -31.92 14.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.851 0.358 . . . . 0.0 111.096 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.476 ' HB2' HD11 ' A' ' 40' ' ' ILE . 27.7 m-85 -96.43 -23.39 16.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.587 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -55.53 -46.0 99.78 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.665 0.745 . . . . 0.0 110.86 -179.796 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 35' ' ' SER . 63.7 Cg_exo -47.94 -37.62 29.69 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.67 2.247 . . . . 0.0 112.372 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.411 ' HE1' HD21 ' A' ' 69' ' ' LEU . 95.1 m-85 -75.84 -37.48 58.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -176.35 -162.91 27.96 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -94.37 124.78 38.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.776 0.322 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.487 HG21 ' HB2' ' A' ' 43' ' ' LEU . 43.3 mt -84.56 114.76 25.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.9 pt -101.56 -21.23 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -145.0 106.23 4.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.869 HD13 HG22 ' A' ' 54' ' ' VAL . 9.4 tp -128.1 109.86 11.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 m -118.08 136.45 53.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.827 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.72 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 1.4 mmt -124.03 131.89 53.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.54 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 1.4 m-20 -125.04 95.59 41.6 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.576 0.703 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.586 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 65.7 Cg_exo -47.96 -43.34 30.27 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.663 2.242 . . . . 0.0 112.361 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.0 Cg_exo -47.95 -63.74 0.29 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.702 2.268 . . . . 0.0 112.352 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 -81.68 6.26 15.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.8 m120 44.05 48.35 7.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 24.3 p -145.88 173.81 11.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.72 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -153.68 167.9 28.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.09 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -134.81 101.82 5.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.869 HG22 HD13 ' A' ' 43' ' ' LEU . 71.5 t -96.09 130.42 44.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.101 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 90.0 m -110.24 139.5 45.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.172 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.587 ' CD2' ' HB3' ' A' ' 61' ' ' SER . 15.6 m-85 -108.96 141.75 40.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -58.25 -32.3 68.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.4 mtpt -125.22 121.42 34.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.95 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.466 ' HG2' ' N ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -44.03 -36.7 2.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 179.887 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.466 ' N ' ' HG2' ' A' ' 59' ' ' MET . 6.7 mt-10 -39.14 -32.66 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.587 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 36.2 m -78.38 -47.25 18.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.856 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -36.0 -57.0 0.71 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -65.42 -45.5 83.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.457 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 15.1 mt-30 -54.02 -66.38 0.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -47.15 -58.64 3.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.634 HG21 HD13 ' A' ' 83' ' ' ILE . 12.5 t -53.88 -20.21 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.169 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -85.69 -38.19 18.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.084 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -97.88 -58.46 1.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 65' ' ' ALA . 9.3 mt -52.75 -21.02 3.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -61.69 118.15 6.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 60.53 21.83 58.21 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.501 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.477 HG23 HG13 ' A' ' 74' ' ' VAL . 1.7 t -84.67 157.5 21.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.696 0.284 . . . . 0.0 111.16 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -119.75 97.39 5.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.477 HG13 HG23 ' A' ' 72' ' ' THR . 3.4 m -112.05 143.73 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.466 ' CB ' HD11 ' A' ' 29' ' ' LEU . 30.5 mm-40 53.44 26.74 5.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.8 t 72.89 30.51 1.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.5 t -138.2 127.55 33.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.111 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -81.16 105.97 12.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 29.0 mt -95.73 137.83 34.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -115.83 108.8 16.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.478 HG12 HG22 ' A' ' 66' ' ' VAL . 5.3 t -110.54 144.08 19.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -149.28 155.69 40.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.846 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.634 HD13 HG21 ' A' ' 66' ' ' VAL . 13.3 mm -70.7 95.91 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.117 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -48.89 124.96 9.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 50.2 ttm-85 -70.91 -56.24 6.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -83.25 92.13 7.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -107.77 82.09 1.31 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.588 0.709 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 178.38 4.64 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.671 2.247 . . . . 0.0 112.357 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 13.6 mmt -70.7 138.52 50.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.6 mt -116.51 -45.07 2.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 19.9 p-10 -123.55 94.53 4.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.464 ' O ' ' C ' ' A' ' 93' ' ' GLY . 34.0 m -63.65 100.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 92' ' ' SER . . . -33.06 96.51 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.426 ' N ' ' O ' ' A' ' 92' ' ' SER . 53.3 Cg_endo -69.76 109.66 2.37 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.693 2.262 . . . . 0.0 112.311 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 60.5 p -109.39 134.83 51.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.821 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.6 t -86.08 167.12 15.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.813 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.464 -179.965 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.5 m -147.66 153.97 40.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.869 0.366 . . . . 0.0 110.869 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.1 t -99.27 171.7 7.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.834 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.49 128.98 9.73 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.497 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -94.7 134.92 36.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.824 0.345 . . . . 0.0 110.853 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.6 m -43.27 146.26 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.904 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.77 -151.8 8.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -132.2 142.29 49.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.863 0.363 . . . . 0.0 110.886 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 64.6 mtt-85 -60.67 114.75 3.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -50.06 135.49 20.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.849 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.25 151.15 94.46 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.59 0.709 . . . . 0.0 111.097 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 159.52 53.17 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.707 2.271 . . . . 0.0 112.357 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.418 ' C ' ' HG3' ' A' ' 14' ' ' LYS . 34.5 mtm180 -109.37 82.64 1.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.827 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.473 ' HE3' ' CE ' ' A' ' 59' ' ' MET . 43.3 mtpt -153.56 118.71 5.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.43 ' HA3' ' CD ' ' A' ' 87' ' ' GLN . . . -156.57 173.8 34.33 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.481 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.6 p-10 -108.91 -46.13 3.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.87 0.367 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.468 ' O ' ' NE2' ' A' ' 87' ' ' GLN . 6.4 m -85.4 155.34 21.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.723 HD21 ' HA ' ' A' ' 62' ' ' ALA . 12.4 mt -135.84 128.05 30.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -83.88 107.54 16.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.948 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.499 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 37.0 t -106.96 143.24 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.129 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.492 ' C ' ' CD1' ' A' ' 21' ' ' TYR . 0.3 OUTLIER -139.01 135.01 33.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.876 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -147.71 -162.82 10.29 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.469 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -135.04 -45.8 0.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.865 0.364 . . . . 0.0 110.841 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.573 ' O ' HG21 ' A' ' 77' ' ' VAL . 14.0 m-20 -122.82 45.86 2.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.761 ' SD ' HD22 ' A' ' 79' ' ' LEU . 0.1 OUTLIER -117.88 139.65 50.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.7 p -112.63 155.61 43.64 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.543 0.687 . . . . 0.0 111.127 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo -48.0 -49.81 13.15 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.675 2.25 . . . . 0.0 112.296 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 87.0 m -58.53 -30.24 66.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.517 HD11 ' CB ' ' A' ' 75' ' ' GLU . 6.3 tt -68.4 -52.43 33.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.3 mt -57.22 -28.93 63.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.937 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.448 ' HA ' ' CD1' ' A' ' 40' ' ' ILE . 48.6 mtt-85 -61.98 -39.01 90.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -93.05 -12.1 58.02 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.05 -31.7 14.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.797 0.332 . . . . 0.0 111.088 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.536 ' CZ ' HD13 ' A' ' 69' ' ' LEU . 17.3 m-85 -95.19 -17.43 21.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.819 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.594 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -59.42 -45.69 98.93 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.713 0.768 . . . . 0.0 110.873 -179.81 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 35' ' ' SER . 64.5 Cg_exo -47.99 -34.93 24.08 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.692 2.261 . . . . 0.0 112.374 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.469 ' HE1' HD21 ' A' ' 69' ' ' LEU . 92.1 m-85 -77.14 -36.02 55.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -178.99 -148.22 7.56 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -104.98 138.41 41.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.755 0.312 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.513 HD11 ' HB2' ' A' ' 34' ' ' PHE . 60.1 mt -99.98 113.24 34.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 12.8 pt -99.83 -33.16 3.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -134.6 106.48 7.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.78 HD13 HG22 ' A' ' 54' ' ' VAL . 3.4 tp -129.67 109.94 11.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.425 ' N ' HD12 ' A' ' 43' ' ' LEU . 11.3 p -120.23 141.87 49.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.416 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -120.77 140.06 52.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.547 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 6.6 t70 -126.0 95.67 38.97 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.589 0.709 . . . . 0.0 110.851 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.598 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 65.0 Cg_exo -48.03 -43.28 30.79 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.669 2.246 . . . . 0.0 112.365 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.6 Cg_exo -47.97 -62.24 0.47 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.699 2.266 . . . . 0.0 112.312 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -91.9 12.23 22.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.5 m120 41.64 38.36 0.91 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.1 p -120.99 177.94 4.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.416 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -159.86 156.55 27.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.094 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -121.75 99.43 6.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.855 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.78 HG22 HD13 ' A' ' 43' ' ' LEU . 96.1 t -96.04 130.08 45.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.083 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 39.8 m -113.39 131.23 56.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.133 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.632 ' CD2' HD11 ' A' ' 18' ' ' LEU . 27.9 m-85 -99.84 141.4 32.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -55.65 -25.38 38.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 33.2 mttm -121.04 162.14 20.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.473 ' CE ' ' HE3' ' A' ' 14' ' ' LYS . 8.7 ptm -81.18 -30.64 34.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.471 ' HG3' ' N ' ' A' ' 61' ' ' SER . 14.2 pt-20 -55.34 -43.04 74.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.471 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 56.3 m -58.61 -43.52 89.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.723 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -45.09 -60.07 2.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.042 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -64.41 -39.91 94.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.821 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.462 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 17.0 mt-30 -55.34 -66.73 0.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -47.39 -56.14 7.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.7 HG23 HD22 ' A' ' 18' ' ' LEU . 6.7 t -52.33 -17.13 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -91.49 -38.21 12.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.111 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -98.13 -58.46 1.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.536 HD13 ' CZ ' ' A' ' 34' ' ' PHE . 9.3 mt -57.63 -12.59 2.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.45 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -72.4 111.8 7.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 179.897 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 71.7 13.33 74.86 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.498 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.503 HG23 HG13 ' A' ' 74' ' ' VAL . 1.3 t -82.17 154.96 25.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.745 0.307 . . . . 0.0 111.148 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -118.93 95.12 4.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.503 HG13 HG23 ' A' ' 72' ' ' THR . 3.4 m -107.49 143.56 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.517 ' CB ' HD11 ' A' ' 29' ' ' LEU . 5.9 mm-40 56.27 25.04 8.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.5 t 74.16 29.36 1.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.573 HG21 ' O ' ' A' ' 24' ' ' ASP . 89.3 t -138.43 119.88 17.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.085 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -76.38 103.52 6.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.761 HD22 ' SD ' ' A' ' 25' ' ' MET . 26.6 mt -89.36 147.55 24.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 19.3 ttpt -121.84 103.96 9.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.502 HG21 ' HB3' ' A' ' 69' ' ' LEU . 17.7 t -100.54 144.52 12.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -150.15 150.15 31.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.684 HD13 HG21 ' A' ' 66' ' ' VAL . 9.6 mm -70.9 94.75 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.458 ' HB3' ' HB3' ' A' ' 87' ' ' GLN . . . -41.27 108.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.459 ' HG2' ' N ' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -53.51 -28.39 30.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.922 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.459 ' N ' ' HG2' ' A' ' 85' ' ' ARG . 26.2 mmmt -112.2 62.16 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.468 ' NE2' ' O ' ' A' ' 17' ' ' THR . 2.4 pt20 -107.72 82.49 1.38 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.615 0.722 . . . . 0.0 110.899 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -176.23 1.42 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.681 2.254 . . . . 0.0 112.368 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 57.8 mtp -80.54 97.82 7.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 76.1 mt -104.62 131.73 51.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -136.63 149.64 48.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.8 m -95.1 -57.44 2.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 101.65 159.59 26.8 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.48 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 95' ' ' SER . 53.7 Cg_endo -69.71 2.8 3.18 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.696 2.264 . . . . 0.0 112.335 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 94' ' ' PRO . 18.3 m -35.87 -48.32 0.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 95' ' ' SER . 50.2 p -38.5 119.49 0.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.823 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.469 179.971 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.4 m -123.52 107.35 11.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.883 0.373 . . . . 0.0 110.858 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 t 69.95 38.8 1.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.829 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.06 57.01 5.98 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.497 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.9 t -61.34 -54.78 39.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.885 0.374 . . . . 0.0 110.826 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.4 m 56.1 42.68 28.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.868 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.15 -69.68 1.35 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.491 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.425 ' H ' ' CD ' ' A' ' 8' ' ' GLU . 4.9 pm0 -66.75 154.39 40.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.872 0.368 . . . . 0.0 110.843 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.43 37.15 0.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.8 ttp85 53.52 41.15 32.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -38.95 150.62 0.21 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.576 0.703 . . . . 0.0 111.129 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -176.33 1.46 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.666 2.244 . . . . 0.0 112.332 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -123.94 -54.89 1.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt 66.86 43.07 2.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -101.48 79.44 0.4 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.537 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -126.87 -38.77 2.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.932 0.396 . . . . 0.0 110.901 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.57 ' O ' HD23 ' A' ' 18' ' ' LEU . 9.0 m -87.22 154.19 20.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.173 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.734 HD11 ' CD2' ' A' ' 56' ' ' TYR . 9.7 mt -136.27 126.44 26.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -82.92 106.45 14.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.638 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 22.3 t -105.37 143.93 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.11 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.401 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 7.9 t80 -138.11 119.79 15.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -132.94 -175.68 14.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.55 ' CD ' ' N ' ' A' ' 23' ' ' GLU . 3.2 mp0 -117.56 -69.94 0.82 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 110.891 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -105.71 50.5 0.78 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.408 ' HG2' HD21 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -116.78 151.55 36.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 p -124.46 158.4 61.74 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.606 0.717 . . . . 0.0 111.125 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -47.98 -62.71 0.4 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.667 2.244 . . . . 0.0 112.371 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 74.5 m -42.02 -37.91 1.49 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.146 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.558 HD11 ' CB ' ' A' ' 75' ' ' GLU . 5.6 tt -65.67 -51.29 60.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.7 mt -56.71 -31.61 64.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 52.2 mtt180 -59.38 -42.51 91.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -91.65 -9.22 63.07 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.481 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.32 -33.78 14.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.784 0.326 . . . . 0.0 111.096 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.72 ' CE2' HD12 ' A' ' 69' ' ' LEU . 45.8 m-85 -95.83 -19.6 19.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.58 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -62.03 -46.01 91.64 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.632 0.729 . . . . 0.0 110.831 -179.759 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.58 ' CD ' ' N ' ' A' ' 35' ' ' SER . 65.1 Cg_exo -47.98 -17.71 0.91 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.695 2.263 . . . . 0.0 112.366 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -93.43 -33.47 13.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -177.3 -130.31 1.36 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.46 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -123.6 133.33 53.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.802 0.334 . . . . 0.0 110.935 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.491 HG21 ' HB2' ' A' ' 43' ' ' LEU . 57.6 mt -95.02 110.78 24.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.5 pt -98.11 -18.51 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -148.93 106.9 3.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.701 HD13 HG22 ' A' ' 54' ' ' VAL . 8.3 tp -128.06 106.56 9.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.2 m -117.33 138.0 52.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.807 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 4.7 mmm -121.29 123.08 41.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.536 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 36.7 m-20 -114.04 95.62 38.92 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.586 0.707 . . . . 0.0 110.857 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.586 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 64.8 Cg_exo -47.99 -43.31 30.52 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.694 2.263 . . . . 0.0 112.357 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.5 Cg_exo -47.98 -44.97 26.38 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.344 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 50' ' ' ASN . 37.5 mmt180 -104.52 13.89 30.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 49' ' ' ARG . 24.1 m-80 37.29 41.44 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 29.7 p -134.65 174.23 10.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.807 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -152.63 161.24 42.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.138 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -124.77 102.2 7.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.701 HG22 HD13 ' A' ' 43' ' ' LEU . 60.8 t -98.93 117.08 43.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 40.1 m -100.21 132.39 45.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.734 ' CD2' HD11 ' A' ' 18' ' ' LEU . 15.9 m-85 -99.73 146.51 26.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -59.9 -24.31 64.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.7 mtmm -130.21 156.66 44.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.502 ' SD ' ' N ' ' A' ' 60' ' ' GLU . 4.0 ppp? -67.2 -49.15 65.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.898 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.502 ' N ' ' SD ' ' A' ' 59' ' ' MET . 19.7 pt-20 -35.91 -51.8 0.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.52 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 69.5 m -52.33 -52.25 54.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.704 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -41.14 -64.5 0.54 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.09 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.19 -45.98 79.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.434 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 9.6 mt-30 -51.96 -64.64 0.75 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -47.79 -57.55 5.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.118 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.495 HG21 HG12 ' A' ' 83' ' ' ILE . 9.2 t -54.81 -16.81 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -91.04 -36.31 14.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -97.94 -58.17 2.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.938 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.72 HD12 ' CE2' ' A' ' 34' ' ' PHE . 8.7 mt -54.69 -27.41 40.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -51.69 113.81 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 58.68 33.41 72.41 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.482 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.52 HG23 HG13 ' A' ' 74' ' ' VAL . 2.5 t -91.31 161.58 14.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.746 0.308 . . . . 0.0 111.149 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -120.67 95.76 4.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.933 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.52 HG13 HG23 ' A' ' 72' ' ' THR . 2.8 m -116.99 141.0 37.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.558 ' CB ' HD11 ' A' ' 29' ' ' LEU . 17.7 mm-40 54.57 33.37 18.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m 63.97 29.71 14.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 86.4 t -138.0 125.52 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.135 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -78.3 116.09 18.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.408 HD21 ' HG2' ' A' ' 25' ' ' MET . 52.8 mt -105.72 141.2 37.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -122.5 108.65 13.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.556 HG13 HG22 ' A' ' 20' ' ' VAL . 3.1 t -108.64 139.06 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -145.93 143.34 29.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.495 HG12 HG21 ' A' ' 66' ' ' VAL . 8.3 mm -70.44 98.45 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.58 86.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 41.2 ttm-85 -44.66 -37.32 3.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.8 pttp -99.61 96.81 7.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -108.2 81.8 1.39 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.562 0.696 . . . . 0.0 110.949 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -2.09 9.59 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.657 2.238 . . . . 0.0 112.339 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 20.2 tpp -93.41 96.67 10.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 16.0 mt -117.25 127.89 54.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -110.72 77.92 1.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 89.5 p -109.44 136.23 49.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 79.42 94.13 0.34 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.521 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -6.05 17.68 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.668 2.245 . . . . 0.0 112.356 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.6 t -46.26 143.01 2.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.7 m -46.57 151.46 0.56 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.463 -179.956 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.2 m -80.97 87.26 6.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.883 0.373 . . . . 0.0 110.893 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.1 m -101.55 115.71 31.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.83 -70.2 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.495 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.7 m -112.52 -50.89 2.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.843 0.354 . . . . 0.0 110.827 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 t 64.85 42.92 4.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.9 -141.58 12.89 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.496 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.5 tp10 71.29 42.12 0.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.903 0.382 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -105.56 96.92 6.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -71.82 -30.14 65.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -167.71 153.16 6.95 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.501 0.667 . . . . 0.0 111.127 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 174.74 9.05 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.682 2.255 . . . . 0.0 112.354 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.9 ttm-85 -108.96 -43.11 4.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.4 mmtt -87.79 159.55 18.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 170.37 158.0 13.51 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.524 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.8 p-10 -110.41 -49.09 3.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.927 0.394 . . . . 0.0 110.914 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.8 m -87.29 155.26 20.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.827 HD21 ' HA ' ' A' ' 62' ' ' ALA . 9.3 mt -136.27 128.62 30.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -80.65 105.2 11.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.66 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 48.0 t -103.38 137.37 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.121 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 0.6 OUTLIER -142.94 116.24 9.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.898 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -127.07 -145.88 6.34 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -133.66 -72.95 0.49 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.865 0.364 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -103.85 49.61 0.82 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.711 ' SD ' HD22 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -109.93 145.92 36.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.7 p -119.96 155.49 55.26 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.577 0.703 . . . . 0.0 111.16 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -47.97 -45.55 24.58 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.695 2.263 . . . . 0.0 112.317 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.7 m -64.63 -29.9 70.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.46 HD11 ' CB ' ' A' ' 75' ' ' GLU . 6.0 tt -70.79 -50.45 35.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.422 HD21 ' HB2' ' A' ' 25' ' ' MET . 13.2 mt -56.13 -31.51 63.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.415 ' HA ' ' CD1' ' A' ' 40' ' ' ILE . 67.4 mtt-85 -62.9 -37.78 88.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -90.6 -11.72 61.85 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.462 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.67 -30.86 13.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.784 0.326 . . . . 0.0 111.077 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.66 ' CZ ' HG21 ' A' ' 20' ' ' VAL . 29.0 m-85 -95.5 -13.69 24.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.588 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -64.09 -45.98 79.95 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.652 0.739 . . . . 0.0 110.835 -179.782 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 35' ' ' SER . 64.4 Cg_exo -47.94 -24.62 5.37 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.689 2.259 . . . . 0.0 112.361 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.481 ' HE2' HD21 ' A' ' 69' ' ' LEU . 86.9 m-85 -87.28 -37.57 17.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -179.67 -147.45 7.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.458 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -104.76 141.16 36.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 110.875 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.478 HG21 ' HB2' ' A' ' 43' ' ' LEU . 60.8 mt -102.93 115.22 44.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.6 pt -102.03 -24.71 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.151 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -140.99 106.08 4.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.958 HD13 HG22 ' A' ' 54' ' ' VAL . 9.5 tp -130.6 109.28 10.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.2 m -119.89 148.02 44.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.471 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 0.3 OUTLIER -126.11 138.74 53.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.547 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 0.6 OUTLIER -123.83 95.57 44.22 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.662 0.744 . . . . 0.0 110.834 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.592 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 65.1 Cg_exo -47.97 -43.42 30.14 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.667 2.245 . . . . 0.0 112.313 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.592 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 66.6 Cg_exo -47.95 -53.14 7.06 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.74 2.293 . . . . 0.0 112.312 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -100.95 11.57 39.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.939 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.7 m120 41.66 36.4 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 18.2 p -117.53 -177.26 3.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.471 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -161.94 162.64 29.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.092 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -130.86 99.45 4.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.958 HG22 HD13 ' A' ' 43' ' ' LEU . 58.5 t -95.45 127.97 47.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.089 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 93.8 m -108.53 139.88 42.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.535 ' CD2' ' HB3' ' A' ' 61' ' ' SER . 14.0 m-85 -108.57 142.2 39.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -62.85 -22.78 66.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 59' ' ' MET . 49.6 mttt -131.64 109.74 10.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.44 ' HG2' ' N ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -35.18 -37.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.44 ' N ' ' HG2' ' A' ' 59' ' ' MET . 14.4 mt-10 -37.02 -46.53 0.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.535 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 56.6 m -64.6 -46.07 84.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.827 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -35.58 -59.19 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.091 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.5 -45.06 88.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.871 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.452 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 23.0 mt-30 -54.58 -67.13 0.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -46.06 -58.17 3.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.841 HG21 HD13 ' A' ' 83' ' ' ILE . 9.4 t -54.18 -18.27 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.116 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -89.3 -36.72 15.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.065 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -98.01 -58.35 2.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.58 ' HB3' HG21 ' A' ' 81' ' ' VAL . 12.3 mt -55.43 -17.9 5.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.406 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -65.44 116.73 7.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 179.915 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 65.93 17.38 65.27 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.453 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.543 HG23 HG13 ' A' ' 74' ' ' VAL . 1.3 t -84.89 152.31 23.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.696 0.284 . . . . 0.0 111.181 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -115.74 96.33 5.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.543 HG13 HG23 ' A' ' 72' ' ' THR . 3.4 m -110.22 142.62 22.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.139 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.46 ' CB ' HD11 ' A' ' 29' ' ' LEU . 5.4 mm-40 56.1 28.76 13.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.3 m 70.33 25.6 4.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 92.1 t -135.94 121.29 28.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -77.89 111.78 14.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.711 HD22 ' SD ' ' A' ' 25' ' ' MET . 24.0 mt -98.6 146.47 25.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.958 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -119.2 104.87 10.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.58 HG21 ' HB3' ' A' ' 69' ' ' LEU . 4.2 t -101.86 136.69 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -140.99 156.23 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.841 HD13 HG21 ' A' ' 66' ' ' VAL . 11.7 mm -75.47 95.23 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.146 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -47.67 129.41 13.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.118 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -89.37 41.87 1.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -128.94 40.63 3.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -108.06 88.3 4.56 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.611 0.72 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -3.26 11.65 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.711 2.274 . . . . 0.0 112.35 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 25.8 ttm -116.4 140.91 48.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 88.3 mt -117.42 148.37 41.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -73.16 162.49 29.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 65.6 p -171.28 145.08 2.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -101.62 123.9 8.05 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.517 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -1.1 7.86 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.73 2.287 . . . . 0.0 112.345 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.1 m -161.49 145.23 12.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 m -126.05 148.19 49.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 -179.979 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.43 -0.268 . . . . 0.0 112.43 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 t -153.93 130.55 10.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.892 0.377 . . . . 0.0 110.882 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.2 p -138.99 161.61 36.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.23 145.11 4.78 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.465 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 t -132.32 173.55 11.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.896 0.379 . . . . 0.0 110.831 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -79.03 -50.51 10.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.31 56.07 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.461 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -81.94 97.33 8.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 110.889 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.86 -60.62 2.0 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.915 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -134.0 122.2 22.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -138.78 144.28 41.1 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.594 0.712 . . . . 0.0 111.063 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 164.01 36.09 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.717 2.278 . . . . 0.0 112.4 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 49.4 mtm-85 -102.02 -65.79 0.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.831 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -39.04 138.99 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 173.63 163.85 27.85 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.456 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.458 ' N ' ' OE1' ' A' ' 87' ' ' GLN . 4.2 m120 -112.14 -44.49 3.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.909 0.385 . . . . 0.0 110.884 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.566 ' O ' HD23 ' A' ' 18' ' ' LEU . 8.7 m -84.44 150.48 25.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.677 HD21 ' HA ' ' A' ' 62' ' ' ALA . 10.3 mt -134.34 125.51 27.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.953 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -81.11 106.16 12.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.595 HG13 HG22 ' A' ' 81' ' ' VAL . 11.4 t -102.0 151.36 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.126 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.475 ' CD1' ' N ' ' A' ' 22' ' ' GLY . 11.0 t80 -133.33 148.05 51.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.475 ' N ' ' CD1' ' A' ' 21' ' ' TYR . . . -169.45 179.72 41.82 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.483 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -133.93 -44.97 0.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.883 0.373 . . . . 0.0 110.899 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -112.99 39.75 2.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.822 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.408 ' CG ' ' HA3' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -117.98 151.21 37.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 p -124.16 159.62 56.08 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.636 0.731 . . . . 0.0 111.116 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -47.95 -65.22 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.665 2.243 . . . . 0.0 112.371 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 95.8 m -48.61 -30.08 4.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.412 HD23 ' O ' ' A' ' 29' ' ' LEU . 5.7 tt -66.05 -48.69 70.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.7 mt -63.77 -31.41 72.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.481 ' HA ' ' CD1' ' A' ' 40' ' ' ILE . 50.7 mtt180 -56.82 -50.79 71.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.836 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.76 -7.24 88.66 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.462 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -97.8 -27.76 14.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.809 0.338 . . . . 0.0 111.089 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.711 ' HB2' HD11 ' A' ' 40' ' ' ILE . 19.1 m-85 -96.91 -15.98 20.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.642 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 7.2 t -61.22 -42.15 84.13 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.687 0.756 . . . . 0.0 110.855 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 35' ' ' SER . 65.3 Cg_exo -48.0 -42.1 32.3 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.647 2.231 . . . . 0.0 112.326 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.539 ' CE2' ' HA ' ' A' ' 65' ' ' ALA . 92.4 m-85 -73.62 -39.42 64.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -178.16 -149.8 8.27 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.541 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -102.03 138.97 38.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.827 0.346 . . . . 0.0 110.887 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.711 HD11 ' HB2' ' A' ' 34' ' ' PHE . 54.7 mt -97.86 116.65 41.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.105 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.4 pt -102.13 -27.39 3.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.082 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -138.63 111.09 7.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.842 HD13 HG22 ' A' ' 54' ' ' VAL . 8.1 tp -135.46 106.5 6.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.2 t -119.5 141.21 49.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.516 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 0.4 OUTLIER -115.64 140.6 49.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.545 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 0.6 OUTLIER -117.33 95.27 47.1 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.611 0.72 . . . . 0.0 110.852 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.586 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 65.9 Cg_exo -47.99 -43.25 30.63 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.688 2.259 . . . . 0.0 112.294 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 63.7 Cg_exo -47.91 -62.89 0.37 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.357 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -95.45 13.32 26.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 42.65 41.93 2.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 56.9 m -112.8 -177.3 3.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.516 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -157.59 156.55 32.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.081 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -129.84 99.66 5.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.842 HG22 HD13 ' A' ' 43' ' ' LEU . 39.0 t -98.5 135.44 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.088 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.1 m -119.14 136.85 53.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.453 ' HH ' ' HD2' ' A' ' 34' ' ' PHE . 23.8 m-85 -104.33 140.76 37.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.936 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -55.32 -34.9 64.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 59' ' ' MET . 21.5 mmtp -120.39 114.16 21.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.474 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 0.0 OUTLIER -36.52 -37.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.848 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 59' ' ' MET . 9.5 mt-10 -34.81 -56.06 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.447 ' HB2' ' CG ' ' A' ' 56' ' ' TYR . 53.5 m -56.81 -46.15 81.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.858 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.677 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -34.36 -60.4 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.096 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -63.99 -44.86 91.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.412 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 24.1 mt-30 -54.76 -67.17 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.539 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -47.25 -59.38 3.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.077 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 1.074 HG21 HD13 ' A' ' 83' ' ' ILE . 15.7 t -50.21 -21.3 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.137 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -89.23 -31.0 18.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.408 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 11.0 mt-10 -98.1 -59.2 1.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.434 ' CD1' ' CZ ' ' A' ' 34' ' ' PHE . 7.8 mt -55.92 -18.88 10.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -61.44 112.26 2.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.843 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 62.0 29.51 72.81 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.449 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.484 HG23 HG13 ' A' ' 74' ' ' VAL . 2.0 t -90.33 160.62 16.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.739 0.304 . . . . 0.0 111.146 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -120.34 96.63 5.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.484 HG13 HG23 ' A' ' 72' ' ' THR . 3.6 m -116.04 138.66 45.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.129 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 56.78 26.51 11.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.6 t 70.49 29.5 3.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.3 t -137.7 115.53 13.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.099 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -70.32 112.67 6.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.0 mt -102.12 140.0 36.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.961 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.51 111.58 16.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.595 HG22 HG13 ' A' ' 20' ' ' VAL . 6.4 t -110.77 147.25 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.091 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -146.5 151.12 36.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 1.074 HD13 HG21 ' A' ' 66' ' ' VAL . 19.4 mm -70.02 94.57 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 83' ' ' ILE . . . -36.73 147.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.086 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.46 -54.03 6.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.1 mmtp -72.13 82.01 0.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.458 ' OE1' ' N ' ' A' ' 16' ' ' ASN . 25.3 mt-30 -128.5 79.98 73.27 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.586 0.708 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 179.53 3.65 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.659 2.239 . . . . 0.0 112.366 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 9.1 ptm -78.25 143.68 36.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -109.54 -53.15 2.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.928 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -137.02 115.16 11.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 46.8 p -84.84 -59.34 2.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 69.05 146.7 0.19 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.467 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 162.71 41.03 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.684 2.256 . . . . 0.0 112.372 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 58.2 m -142.17 122.33 13.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.843 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.0 m -102.69 -58.8 1.81 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.851 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.496 179.98 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.947 0.403 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.4 m -84.81 156.12 21.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.162 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.78 HD21 ' HA ' ' A' ' 62' ' ' ALA . 6.7 mt -136.81 129.95 31.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -84.79 110.21 18.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.671 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 36.8 t -109.09 144.82 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -136.79 131.1 32.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.441 ' HA3' ' CG ' ' A' ' 25' ' ' MET . . . -142.74 -171.13 13.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.508 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -131.02 -49.33 1.02 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.814 0.34 . . . . 0.0 110.836 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -120.6 40.7 3.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.441 ' CG ' ' HA3' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -110.01 148.76 31.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.8 p -119.52 155.01 54.65 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.569 0.699 . . . . 0.0 111.178 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -47.92 -56.4 3.13 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.707 2.271 . . . . 0.0 112.327 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.7 m -52.55 -29.52 25.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.425 HD11 ' CB ' ' A' ' 75' ' ' GLU . 5.4 tt -69.07 -50.75 45.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.9 mt -59.35 -29.35 67.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.485 ' HG2' HD23 ' A' ' 43' ' ' LEU . 27.4 mtp180 -57.26 -47.65 80.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -87.46 -7.09 76.55 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.451 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.29 -34.19 14.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.852 0.358 . . . . 0.0 111.097 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.671 ' CZ ' HG21 ' A' ' 20' ' ' VAL . 29.9 m-85 -96.61 -20.03 18.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.852 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.583 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -58.89 -45.99 99.57 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.67 0.748 . . . . 0.0 110.861 -179.766 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.583 ' CD ' ' N ' ' A' ' 35' ' ' SER . 66.8 Cg_exo -48.08 -32.74 19.28 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.673 2.249 . . . . 0.0 112.31 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.521 ' CE1' ' HG ' ' A' ' 69' ' ' LEU . 87.7 m-85 -79.25 -38.65 35.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.07 -150.88 7.89 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.518 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -104.01 129.72 51.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.82 0.343 . . . . 0.0 110.87 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.474 HD11 ' HB2' ' A' ' 34' ' ' PHE . 58.7 mt -90.98 114.19 27.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.157 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 12.6 pt -101.11 -22.47 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -143.56 106.37 4.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.836 HD13 HG22 ' A' ' 54' ' ' VAL . 7.6 tp -130.27 111.54 12.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 m -126.44 144.9 50.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.766 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 1.2 mmt -121.13 141.57 50.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.55 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 47.4 m-20 -125.06 95.6 41.54 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.593 0.711 . . . . 0.0 110.845 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.588 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 64.2 Cg_exo -47.96 -43.38 30.19 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.696 2.264 . . . . 0.0 112.348 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 63.8 Cg_exo -47.91 -64.38 0.24 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.715 2.276 . . . . 0.0 112.369 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -87.78 1.19 54.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.6 m120 50.35 51.08 17.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 9.0 p -128.24 174.75 9.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.766 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -151.73 135.95 16.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.079 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -108.0 102.8 11.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.836 HG22 HD13 ' A' ' 43' ' ' LEU . 61.0 t -103.54 121.85 55.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 60.7 m -105.3 136.87 44.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.168 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.647 ' CD2' HD11 ' A' ' 18' ' ' LEU . 16.2 m-85 -103.01 144.16 31.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.917 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -57.4 -22.48 43.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm -128.3 162.61 26.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 13.7 ptp -83.3 -26.09 30.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.903 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -57.56 -36.72 72.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.44 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 32.9 m -70.36 -43.82 69.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.833 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.78 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -40.98 -54.45 2.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.086 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -67.24 -39.42 86.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.4 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 28.0 mt-30 -54.87 -66.49 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -47.42 -54.33 11.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.075 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 1.021 HG21 HD13 ' A' ' 83' ' ' ILE . 12.1 t -55.06 -18.78 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.105 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -90.29 -39.25 12.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -97.81 -58.94 1.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.521 ' HG ' ' CE1' ' A' ' 37' ' ' PHE . 10.0 mt -55.73 -14.9 2.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.44 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 1.2 t30 -70.47 114.67 8.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 66.97 19.94 70.27 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.489 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.616 HG23 HG13 ' A' ' 74' ' ' VAL . 2.7 t -87.33 147.66 25.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.707 0.289 . . . . 0.0 111.176 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -107.38 95.07 5.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.616 HG13 HG23 ' A' ' 72' ' ' THR . 3.4 m -109.4 140.5 27.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.425 ' CB ' HD11 ' A' ' 29' ' ' LEU . 19.8 mm-40 54.79 36.46 26.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 66.4 m 62.73 27.69 16.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.842 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 23.0 t -138.01 123.72 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.138 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -75.54 113.09 12.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 15.0 mt -100.33 132.31 45.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -111.4 104.32 12.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.514 HG21 ' HB3' ' A' ' 69' ' ' LEU . 15.9 t -102.81 147.13 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -150.77 159.08 44.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 1.021 HD13 HG21 ' A' ' 66' ' ' VAL . 12.9 mm -76.88 95.08 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.082 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.815 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.473 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 1.1 p-10 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.924 0.392 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.414 ' O ' HD23 ' A' ' 18' ' ' LEU . 4.5 m -86.82 156.12 20.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.133 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.822 HD21 ' HA ' ' A' ' 62' ' ' ALA . 8.4 mt -134.78 128.71 33.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -84.24 110.3 18.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.95 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.642 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 22.4 t -107.7 146.1 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.153 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -134.26 134.21 41.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.407 ' HA3' ' CG ' ' A' ' 25' ' ' MET . . . -148.15 -175.14 20.55 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.5 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -132.81 -45.37 0.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.838 0.351 . . . . 0.0 110.91 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -122.17 42.4 3.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.407 ' CG ' ' HA3' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -113.63 154.35 27.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.9 p -125.84 155.45 72.81 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.553 0.692 . . . . 0.0 111.16 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -47.95 -63.93 0.28 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.708 2.272 . . . . 0.0 112.357 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.2 m -46.27 -30.96 2.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.554 HD21 ' HG3' ' A' ' 75' ' ' GLU . 5.9 tt -68.7 -48.11 64.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.946 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.8 mt -61.82 -30.01 70.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.7 mtp85 -58.05 -44.06 87.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -90.15 -4.52 71.48 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.462 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -97.32 -32.14 12.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.846 0.355 . . . . 0.0 111.076 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.642 ' CZ ' HG21 ' A' ' 20' ' ' VAL . 36.2 m-85 -96.57 -23.29 16.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.873 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.579 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -56.88 -46.05 99.9 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.687 0.756 . . . . 0.0 110.826 -179.797 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 35' ' ' SER . 65.2 Cg_exo -47.92 -21.84 2.93 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.725 2.283 . . . . 0.0 112.349 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -92.73 -38.13 11.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.24 -152.91 9.11 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.48 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -104.24 127.55 51.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.819 0.342 . . . . 0.0 110.898 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.508 HG21 ' HB2' ' A' ' 43' ' ' LEU . 46.6 mt -89.02 112.07 23.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.1 pt -97.19 -22.87 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.13 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -144.92 107.98 4.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.763 HD13 HG22 ' A' ' 54' ' ' VAL . 6.8 tp -128.43 111.13 12.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 59.1 p -123.23 137.46 54.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.852 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.83 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 1.9 mmm -118.91 134.04 55.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.543 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 4.0 m-20 -118.0 95.58 48.4 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.579 0.704 . . . . 0.0 110.879 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.594 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 66.0 Cg_exo -47.98 -43.36 30.34 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.688 2.259 . . . . 0.0 112.364 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.4 Cg_exo -47.96 -63.77 0.29 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.704 2.269 . . . . 0.0 112.402 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.2 mmp_? -86.51 -1.99 58.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.6 m120 55.54 36.89 28.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.3 p -112.72 179.17 4.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.83 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -160.35 134.61 7.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.044 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -108.65 106.09 16.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.763 HG22 HD13 ' A' ' 43' ' ' LEU . 59.6 t -105.58 122.27 58.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.116 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 34.8 m -105.69 132.71 51.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.588 ' CD2' HD11 ' A' ' 18' ' ' LEU . 12.5 m-85 -99.37 147.0 25.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -58.58 -23.97 59.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.0 mmtt -128.56 168.8 15.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.9 ptm -81.6 -44.82 16.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.883 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -39.47 -47.16 1.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.437 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 37.9 m -57.17 -50.04 74.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.822 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -38.72 -60.86 0.78 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.14 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.36 -42.51 98.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.489 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 25.8 mt-30 -53.52 -66.04 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -49.23 -62.02 1.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.675 HG22 HG12 ' A' ' 81' ' ' VAL . 13.9 t -48.83 -20.92 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -85.42 -35.0 21.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.105 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -98.08 -57.63 2.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.638 HD12 ' CE2' ' A' ' 34' ' ' PHE . 10.1 mt -54.66 -16.61 2.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -63.93 112.69 3.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 64.6 17.54 62.53 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.45 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.625 HG23 HG13 ' A' ' 74' ' ' VAL . 1.3 t -80.99 150.19 29.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.733 0.301 . . . . 0.0 111.138 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -111.82 97.28 6.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.625 HG13 HG23 ' A' ' 72' ' ' THR . 3.3 m -114.61 141.69 30.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.554 ' HG3' HD21 ' A' ' 29' ' ' LEU . 5.8 mm-40 55.17 31.07 15.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.3 m 67.03 26.94 8.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.824 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 19.8 t -136.31 123.86 33.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.152 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -75.99 110.42 10.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.3 mt -98.6 137.06 37.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.3 mtmt -118.78 109.51 16.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.675 HG12 HG22 ' A' ' 66' ' ' VAL . 5.0 t -106.3 149.22 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -152.82 146.18 24.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.431 HG12 HG11 ' A' ' 66' ' ' VAL . 7.2 mm -69.79 100.45 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 179.772 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.896 0.379 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.4 m -84.59 153.54 23.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.152 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.798 HD21 ' HA ' ' A' ' 62' ' ' ALA . 4.9 mt -134.9 134.22 40.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -85.04 109.49 18.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.553 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 18.5 t -105.51 146.56 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.114 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -139.19 130.23 26.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.932 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.441 ' HA3' ' CG ' ' A' ' 25' ' ' MET . . . -143.27 -177.46 18.25 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.496 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -125.2 -51.59 1.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.842 0.353 . . . . 0.0 110.884 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.437 ' O ' HG21 ' A' ' 77' ' ' VAL . 11.1 m-20 -117.96 45.25 2.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.441 ' CG ' ' HA3' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -115.36 160.09 20.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.7 p -130.48 155.74 80.64 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.603 0.716 . . . . 0.0 111.173 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_exo -47.87 -59.19 1.34 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.386 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 99.5 m -49.18 -33.59 12.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.455 ' O ' HD23 ' A' ' 29' ' ' LEU . 5.3 tt -66.02 -47.56 74.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.939 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.7 mt -61.82 -28.75 69.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -60.31 -44.01 95.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -90.29 -9.85 64.7 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.505 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.36 -33.86 15.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.805 0.336 . . . . 0.0 111.115 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.559 ' CE2' HD12 ' A' ' 69' ' ' LEU . 35.3 m-85 -95.4 -17.8 21.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.575 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -62.88 -46.16 87.58 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.687 0.756 . . . . 0.0 110.839 -179.797 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' ' 35' ' ' SER . 65.4 Cg_exo -48.02 -19.8 1.78 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.673 2.249 . . . . 0.0 112.316 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -89.82 -38.82 13.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -172.98 -127.77 1.0 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.491 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -125.02 136.01 53.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.799 0.333 . . . . 0.0 110.893 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.586 HG21 ' HB2' ' A' ' 43' ' ' LEU . 37.4 mt -98.58 104.92 16.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.102 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.1 pt -91.73 -18.57 7.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -150.49 107.78 3.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.825 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.86 HD13 HG22 ' A' ' 54' ' ' VAL . 10.8 tp -130.38 112.98 13.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.2 m -125.73 145.57 50.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.937 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 2.3 mmm -122.19 146.25 47.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.549 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 0.6 OUTLIER -128.98 95.66 31.0 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.566 0.698 . . . . 0.0 110.844 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.59 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 65.0 Cg_exo -48.05 -43.29 30.89 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.327 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.7 Cg_exo -48.03 -59.73 1.14 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.697 2.265 . . . . 0.0 112.339 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -91.9 3.6 54.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 48.87 41.09 17.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 25.7 p -117.94 175.88 5.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.937 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -153.57 135.93 14.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.097 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -108.77 106.35 16.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.86 HG22 HD13 ' A' ' 43' ' ' LEU . 49.2 t -105.11 122.03 57.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.115 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.5 m -106.1 129.65 54.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.175 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.552 ' CE2' HD11 ' A' ' 18' ' ' LEU . 21.0 m-85 -97.73 142.63 29.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -54.15 -26.71 29.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.865 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.429 ' NZ ' ' HA ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -127.07 168.14 15.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.3 ptp -82.65 -39.86 21.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -42.16 -42.21 2.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.519 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 21.6 m -63.95 -47.84 78.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.808 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.798 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -40.51 -58.86 1.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.073 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -62.77 -39.4 94.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.831 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.408 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 12.6 mt-30 -58.35 -67.4 0.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -45.7 -57.36 4.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.053 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.713 HG21 HD13 ' A' ' 83' ' ' ILE . 14.0 t -56.62 -18.02 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.118 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -90.1 -35.78 15.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -98.03 -58.36 2.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.559 HD12 ' CE2' ' A' ' 34' ' ' PHE . 9.4 mt -53.43 -38.26 63.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -39.74 116.73 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 55.93 35.74 64.61 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.455 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.448 HG22 ' O ' ' A' ' 69' ' ' LEU . 6.7 t -90.59 167.18 12.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.749 0.309 . . . . 0.0 111.123 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -127.47 95.99 4.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.4 m -118.13 143.15 29.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.446 ' CB ' HD11 ' A' ' 29' ' ' LEU . 46.8 mm-40 54.21 29.28 10.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.1 m 67.56 29.27 7.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.437 HG21 ' O ' ' A' ' 24' ' ' ASP . 43.7 t -137.49 120.73 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -71.74 112.54 7.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.5 mt -99.45 138.48 36.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.972 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.93 109.51 15.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.52 HG12 HG22 ' A' ' 66' ' ' VAL . 13.9 t -108.18 145.79 14.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -145.31 158.16 43.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.713 HD13 HG21 ' A' ' 66' ' ' VAL . 8.6 mm -77.18 97.24 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.833 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.8 t30 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.887 0.375 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.721 ' O ' HD23 ' A' ' 18' ' ' LEU . 1.4 m -85.28 156.22 21.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.733 HD21 ' HA ' ' A' ' 62' ' ' ALA . 10.8 mt -136.74 126.02 24.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.942 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -80.03 105.48 11.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.449 HG13 HG22 ' A' ' 81' ' ' VAL . 5.1 t -95.99 140.5 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.101 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -132.99 116.81 16.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.948 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -139.22 178.23 19.7 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.468 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.538 ' CD ' ' N ' ' A' ' 23' ' ' GLU . 2.7 mp0 -117.98 -70.5 0.79 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.889 0.376 . . . . 0.0 110.86 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -101.86 53.23 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.587 ' HG2' HD21 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -123.79 150.28 44.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.4 p -122.41 158.6 55.57 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.557 0.694 . . . . 0.0 111.123 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -47.99 -55.57 3.89 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.686 2.257 . . . . 0.0 112.321 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.8 m -47.34 -37.15 10.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.47 HD11 ' CB ' ' A' ' 75' ' ' GLU . 5.6 tt -66.24 -52.91 43.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.1 mt -58.11 -28.95 65.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.442 ' HA ' ' CD1' ' A' ' 40' ' ' ILE . 65.2 mtp85 -60.15 -46.68 88.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -87.66 -5.48 78.26 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.513 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.51 -31.71 12.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.357 . . . . 0.0 111.123 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.594 ' CE2' HD12 ' A' ' 69' ' ' LEU . 33.8 m-85 -96.19 -26.17 15.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.579 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -53.84 -46.23 98.56 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.707 0.765 . . . . 0.0 110.887 -179.787 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 35' ' ' SER . 64.8 Cg_exo -47.97 -32.17 17.41 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.682 2.254 . . . . 0.0 112.341 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -82.36 -38.45 24.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.48 -162.08 22.17 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.474 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -96.02 120.74 36.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.828 0.346 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.442 ' CD1' ' HA ' ' A' ' 31' ' ' ARG . 56.7 mt -81.47 109.44 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.7 pt -99.41 -30.12 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -136.52 107.13 6.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.726 HD13 HG22 ' A' ' 54' ' ' VAL . 6.7 tp -127.66 110.25 12.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 m -117.45 137.4 52.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.822 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.849 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 7.8 mmm -125.29 130.37 51.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.541 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 16.9 t70 -123.35 95.56 45.27 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.567 0.699 . . . . 0.0 110.793 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.584 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 66.1 Cg_exo -48.02 -43.31 30.67 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.67 2.247 . . . . 0.0 112.362 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.1 Cg_exo -47.92 -64.54 0.23 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.673 2.248 . . . . 0.0 112.343 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.62 -1.54 31.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 m120 52.75 44.22 30.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.7 p -144.86 175.51 10.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.849 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -152.94 171.12 18.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.073 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -134.4 100.9 4.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.868 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.726 HG22 HD13 ' A' ' 43' ' ' LEU . 63.6 t -95.37 126.18 47.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 59.3 m -107.25 144.36 34.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.532 ' CE2' HD11 ' A' ' 18' ' ' LEU . 13.8 m-85 -113.5 142.36 46.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.92 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 63.4 tt0 -55.17 -21.48 13.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -131.73 152.2 51.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -73.62 -23.36 59.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -58.77 -42.09 88.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.475 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 23.5 m -64.78 -34.41 78.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.733 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -49.14 -59.48 3.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.129 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -64.12 -34.87 79.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.471 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 22.2 mt-30 -60.6 -68.12 0.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -48.11 -54.82 11.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.768 HG21 HD13 ' A' ' 83' ' ' ILE . 5.5 t -54.81 -15.64 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -90.86 -35.78 14.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -98.0 -58.98 1.85 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.594 HD12 ' CE2' ' A' ' 34' ' ' PHE . 9.4 mt -54.65 -22.96 15.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.934 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.03 114.04 2.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 65.69 14.99 61.36 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.481 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.445 HG23 HG13 ' A' ' 74' ' ' VAL . 1.5 t -77.24 160.98 28.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.759 0.314 . . . . 0.0 111.094 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -124.43 94.99 4.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.445 HG13 HG23 ' A' ' 72' ' ' THR . 3.1 m -112.41 141.74 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.47 ' CB ' HD11 ' A' ' 29' ' ' LEU . 5.6 mm-40 55.08 32.08 17.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 48.7 m 64.46 30.27 13.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.865 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 94.9 t -137.29 111.86 9.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.161 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -67.88 110.1 3.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.587 HD21 ' HG2' ' A' ' 25' ' ' MET . 38.5 mt -100.56 140.84 34.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -121.15 106.27 11.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.449 HG22 HG13 ' A' ' 20' ' ' VAL . 6.0 t -106.92 137.86 35.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -140.99 155.76 46.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.768 HD13 HG21 ' A' ' 66' ' ' VAL . 17.5 mm -69.35 95.14 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.115 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 179.798 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.9 m120 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.904 0.383 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.403 HG23 ' OG1' ' A' ' 55' ' ' THR . 0.9 OUTLIER -85.14 147.36 26.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.868 HD21 ' HA ' ' A' ' 62' ' ' ALA . 7.4 mt -129.42 127.88 41.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -80.08 112.54 17.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.569 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 21.8 t -108.28 142.2 21.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.091 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -138.95 122.5 17.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -137.47 -176.74 14.6 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.544 ' CD ' ' N ' ' A' ' 23' ' ' GLU . 2.8 mp0 -117.02 -66.2 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.869 0.366 . . . . 0.0 110.871 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -107.51 51.12 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.552 ' HB3' HG11 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -117.62 151.77 36.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.9 p -121.43 155.54 59.0 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.604 0.716 . . . . 0.0 111.125 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.489 ' N ' ' HE2' ' A' ' 45' ' ' MET . 65.6 Cg_exo -48.03 -58.3 1.83 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.715 2.276 . . . . 0.0 112.328 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.2 m -50.25 -32.04 15.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.171 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.415 ' HG ' ' CD ' ' A' ' 75' ' ' GLU . 5.5 tt -66.19 -50.99 61.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.953 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.3 mt -59.0 -31.32 68.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.1 mtm180 -55.84 -44.2 77.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.842 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -89.78 -9.46 66.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.533 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.45 -33.85 16.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.801 0.334 . . . . 0.0 111.096 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.569 ' CZ ' HG21 ' A' ' 20' ' ' VAL . 19.4 m-85 -95.94 -24.59 16.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.573 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -55.88 -46.21 99.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.688 0.756 . . . . 0.0 110.829 -179.765 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.573 ' CD ' ' N ' ' A' ' 35' ' ' SER . 64.8 Cg_exo -47.96 -27.28 8.56 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.662 2.241 . . . . 0.0 112.342 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.564 ' HE1' HD21 ' A' ' 69' ' ' LEU . 76.8 m-85 -82.2 -35.35 28.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -175.24 -122.02 0.67 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.481 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -132.53 131.08 41.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.785 0.326 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.558 HD11 ' HB2' ' A' ' 34' ' ' PHE . 49.6 mt -92.53 115.1 30.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.3 pt -98.12 -28.9 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.166 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -139.34 107.7 5.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.638 HD13 HG22 ' A' ' 54' ' ' VAL . 5.7 tp -127.92 112.73 15.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.2 p -126.92 133.51 50.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.799 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 1.3 mmt -112.72 133.47 54.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.551 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 61.4 m-20 -115.37 95.61 43.35 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.631 0.729 . . . . 0.0 110.874 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.59 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 64.1 Cg_exo -47.96 -43.34 30.27 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.656 2.237 . . . . 0.0 112.358 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.2 Cg_exo -47.97 -64.8 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.658 2.239 . . . . 0.0 112.372 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 50' ' ' ASN . 7.7 mmm180 -87.36 17.9 4.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.913 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 49' ' ' ARG . 78.4 m-20 36.29 41.54 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 18.0 p -126.76 -178.59 4.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.799 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -157.2 167.09 31.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.115 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -134.62 103.78 5.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.638 HG22 HD13 ' A' ' 43' ' ' LEU . 47.9 t -101.09 125.62 55.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.403 ' OG1' HG23 ' A' ' 17' ' ' THR . 14.6 m -111.46 129.78 55.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.705 ' CD2' HD11 ' A' ' 18' ' ' LEU . 21.8 m-85 -96.65 149.28 21.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -67.31 -32.69 73.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -115.5 110.86 19.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.448 ' O ' ' N ' ' A' ' 62' ' ' ALA . 19.0 ptp -34.75 -48.17 0.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 59' ' ' MET . 12.2 pt-20 -35.22 -51.94 0.58 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.451 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 27.4 m -53.05 -44.61 67.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.839 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.868 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -36.93 -64.48 0.35 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.056 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.3 -44.35 95.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -48.65 -61.74 1.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -52.44 -63.25 1.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.545 HG22 HG12 ' A' ' 81' ' ' VAL . 11.9 t -51.82 -19.21 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.06 -38.58 16.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -98.04 -57.01 2.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.564 HD21 ' HE1' ' A' ' 37' ' ' PHE . 9.3 mt -53.07 -39.64 63.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 69' ' ' LEU . 1.1 t30 -37.38 116.54 0.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 53.87 41.14 66.66 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.489 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.486 HG23 HG13 ' A' ' 74' ' ' VAL . 7.2 t -96.41 156.43 16.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.766 0.317 . . . . 0.0 111.149 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -113.12 95.15 5.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.486 HG13 HG23 ' A' ' 72' ' ' THR . 2.0 m -118.01 139.48 45.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.415 ' CD ' ' HG ' ' A' ' 29' ' ' LEU . 13.2 mt-10 52.09 34.26 13.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 32.7 m 62.43 32.17 16.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.825 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.552 HG11 ' HB3' ' A' ' 25' ' ' MET . 50.9 t -138.53 115.5 11.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.143 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -70.33 108.92 4.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 15.5 mt -96.37 141.37 29.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -121.53 107.89 12.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.545 HG12 HG22 ' A' ' 66' ' ' VAL . 3.5 t -106.27 144.15 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -151.84 138.78 19.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.446 HG12 HG11 ' A' ' 66' ' ' VAL . 16.7 mm -65.8 97.83 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.111 179.801 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 56' ' ' TYR . 3.9 t-20 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.939 0.399 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.784 ' O ' HD23 ' A' ' 18' ' ' LEU . 2.0 m -86.28 156.18 20.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.839 HD21 ' HA ' ' A' ' 62' ' ' ALA . 10.7 mt -140.28 124.89 18.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -82.07 104.44 12.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.571 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 38.3 t -97.05 149.39 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.173 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -140.78 131.62 25.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.922 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.447 ' HA3' ' CG ' ' A' ' 25' ' ' MET . . . -147.78 -177.14 21.94 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.471 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -127.46 -49.2 1.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.803 0.335 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -118.55 43.82 2.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.447 ' CG ' ' HA3' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -115.51 154.16 29.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.6 p -125.82 156.79 70.76 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.586 0.708 . . . . 0.0 111.131 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.446 ' N ' ' HE2' ' A' ' 45' ' ' MET . 64.4 Cg_exo -47.97 -60.11 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.683 2.255 . . . . 0.0 112.386 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.4 m -48.67 -30.65 5.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.167 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.596 HD21 ' HG3' ' A' ' 75' ' ' GLU . 6.0 tt -69.64 -53.0 20.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.1 mt -58.62 -27.3 64.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.914 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.431 ' NH1' ' HB3' ' A' ' 31' ' ' ARG . 7.8 mtp-105 -62.48 -44.97 95.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -87.32 -7.15 76.94 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.481 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.411 ' C ' ' HD2' ' A' ' 36' ' ' PRO . . . -96.3 -35.44 11.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.832 0.349 . . . . 0.0 111.112 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.571 ' CZ ' HG21 ' A' ' 20' ' ' VAL . 29.9 m-85 -92.23 -20.26 21.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.847 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.579 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -60.08 -46.09 97.97 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.649 0.737 . . . . 0.0 110.832 -179.776 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 35' ' ' SER . 63.9 Cg_exo -47.96 -25.26 6.09 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.633 2.222 . . . . 0.0 112.376 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.505 ' HE1' HD21 ' A' ' 69' ' ' LEU . 82.8 m-85 -87.01 -28.4 22.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 177.77 -137.44 3.4 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -119.21 127.82 53.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.758 0.314 . . . . 0.0 110.896 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.458 HG21 ' HB2' ' A' ' 43' ' ' LEU . 38.4 mt -89.99 106.86 17.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.8 pt -93.93 -22.32 5.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -145.5 111.64 5.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 1.017 HD13 HG22 ' A' ' 54' ' ' VAL . 20.4 tp -135.3 109.17 8.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.3 m -117.08 134.2 55.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.716 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 2.3 mmm -116.6 129.22 56.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.541 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 1.6 m-20 -120.66 95.65 48.95 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.637 0.732 . . . . 0.0 110.857 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.582 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 65.1 Cg_exo -47.98 -43.28 30.55 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.701 2.267 . . . . 0.0 112.348 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.6 Cg_exo -48.04 -51.51 9.84 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.68 2.253 . . . . 0.0 112.335 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 66.3 mmt-85 -96.41 12.73 30.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 38.98 36.82 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 26.3 p -132.56 171.51 13.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.716 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -150.42 165.38 33.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -127.94 102.09 6.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 1.017 HG22 HD13 ' A' ' 43' ' ' LEU . 65.6 t -98.33 123.51 50.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.158 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.9 m -107.63 135.96 48.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.519 ' CE2' HD11 ' A' ' 18' ' ' LEU . 15.0 m-85 -103.79 142.48 34.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -52.9 -35.62 58.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.3 167.37 10.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 9.8 ptp -83.48 -35.35 24.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -47.46 -50.9 21.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.505 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 67.2 m -51.35 -49.88 60.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.839 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -37.95 -58.95 0.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.099 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.05 -37.93 89.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.448 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 24.7 mt-30 -57.79 -66.9 0.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -47.28 -55.98 7.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.912 HG21 HD13 ' A' ' 83' ' ' ILE . 13.7 t -53.51 -17.34 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.07 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -91.2 -39.52 12.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -97.91 -58.39 2.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.606 ' HB3' HG21 ' A' ' 81' ' ' VAL . 9.1 mt -56.67 -13.15 2.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.405 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -70.85 115.86 10.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 179.894 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 65.92 13.83 60.05 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.519 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.608 HG23 HG13 ' A' ' 74' ' ' VAL . 1.3 t -78.43 153.35 31.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.751 0.31 . . . . 0.0 111.16 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -114.8 95.07 5.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.608 HG13 HG23 ' A' ' 72' ' ' THR . 3.2 m -110.93 141.59 25.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.099 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.596 ' HG3' HD21 ' A' ' 29' ' ' LEU . 5.8 mm-40 54.51 34.96 22.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.0 m 62.43 28.87 17.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.821 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 70.6 t -138.04 117.61 15.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -68.92 107.31 3.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 79' ' ' LEU . 10.9 mt -94.15 130.13 40.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.57 108.33 18.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.909 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.606 HG21 ' HB3' ' A' ' 69' ' ' LEU . 3.6 t -109.14 135.27 48.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -138.25 155.3 48.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.912 HD13 HG21 ' A' ' 66' ' ' VAL . 13.9 mm -69.82 96.17 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.158 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.822 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.7 p-10 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.926 0.393 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.6 m -86.19 155.71 20.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.662 HD22 HG23 ' A' ' 66' ' ' VAL . 10.7 mt -139.91 127.4 21.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -85.71 111.64 20.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.669 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 42.1 t -102.63 151.28 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.12 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.455 ' CD1' ' N ' ' A' ' 22' ' ' GLY . 10.3 t80 -133.4 145.49 50.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.455 ' N ' ' CD1' ' A' ' 21' ' ' TYR . . . -165.12 -179.97 39.34 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.505 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -133.47 -39.88 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.35 . . . . 0.0 110.841 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -124.48 41.16 3.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.439 ' HG2' HD21 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -115.35 157.54 23.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 47.8 p -130.9 155.64 81.19 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.598 0.713 . . . . 0.0 111.114 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -48.01 -57.24 2.46 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.682 2.255 . . . . 0.0 112.322 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 52.1 m -46.85 -34.04 5.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.118 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.523 HD11 ' CB ' ' A' ' 75' ' ' GLU . 5.6 tt -69.91 -50.34 43.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.511 HD11 ' SD ' ' A' ' 45' ' ' MET . 9.6 mt -59.38 -26.48 65.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -63.52 -43.56 96.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -90.93 -5.23 68.42 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.512 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.9 -35.51 10.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.79 0.329 . . . . 0.0 111.071 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.696 ' CE2' HD12 ' A' ' 69' ' ' LEU . 42.1 m-85 -93.5 -21.19 19.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.584 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -58.99 -45.94 99.55 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.645 0.736 . . . . 0.0 110.844 -179.774 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 35' ' ' SER . 66.1 Cg_exo -48.0 -33.98 21.8 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.73 2.287 . . . . 0.0 112.306 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.406 ' CZ ' ' HB2' ' A' ' 68' ' ' GLU . 88.1 m-85 -78.93 -36.3 41.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -178.09 -165.13 32.43 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.477 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -89.33 130.9 35.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.777 0.322 . . . . 0.0 110.902 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.445 HG21 ' HB2' ' A' ' 43' ' ' LEU . 60.4 mt -93.15 110.55 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 14.1 pt -95.88 -25.71 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.144 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -142.1 111.74 6.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.915 HD13 HG22 ' A' ' 54' ' ' VAL . 9.8 tp -133.41 111.21 10.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.944 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.4 p -122.04 141.38 51.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.878 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 2.8 mmm -123.22 135.05 54.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.542 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 9.7 m-20 -120.18 95.52 49.1 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.54 0.686 . . . . 0.0 110.886 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.596 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 64.4 Cg_exo -47.95 -43.39 30.09 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.7 2.267 . . . . 0.0 112.329 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 64.6 Cg_exo -47.9 -58.31 1.82 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 51' ' ' CYS . 8.4 mmt85 -92.48 15.72 13.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 38.65 30.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.412 ' N ' ' O ' ' A' ' 49' ' ' ARG . 72.6 m -116.25 -177.33 3.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.878 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -159.97 175.77 12.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.501 ' CD1' ' C ' ' A' ' 52' ' ' ALA . 1.5 m-85 -146.49 108.77 4.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.915 HG22 HD13 ' A' ' 43' ' ' LEU . 49.0 t -106.81 133.97 49.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.4 m -112.82 140.82 47.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.592 ' CD2' ' HB3' ' A' ' 61' ' ' SER . 20.7 m-85 -109.08 141.66 40.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -58.62 -23.29 58.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 33.8 mttm -122.22 169.8 10.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.842 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.8 ptp -84.57 -46.84 11.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -42.37 -42.95 3.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.592 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 36.4 m -58.59 -48.8 79.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.643 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -44.8 -56.91 4.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.15 -45.09 86.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.833 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.523 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 18.3 mt-30 -52.6 -65.46 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -46.89 -62.29 1.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.087 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.693 HG21 HD13 ' A' ' 83' ' ' ILE . 9.8 t -50.35 -18.39 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.168 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -87.47 -35.13 18.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.076 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.406 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 10.4 mt-10 -98.13 -58.28 2.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.696 HD12 ' CE2' ' A' ' 34' ' ' PHE . 8.9 mt -53.39 -26.49 19.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -52.33 117.02 2.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 56.65 22.15 38.52 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.453 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.581 HG23 HG13 ' A' ' 74' ' ' VAL . 1.3 t -81.18 155.21 26.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.787 0.327 . . . . 0.0 111.135 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -116.85 95.39 4.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.581 HG13 HG23 ' A' ' 72' ' ' THR . 3.3 m -114.31 142.22 27.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.117 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.523 ' CB ' HD11 ' A' ' 29' ' ' LEU . 8.5 mm-40 54.37 34.78 21.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.7 m 63.59 29.97 15.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 41.4 t -138.02 121.6 20.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.089 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -76.09 102.64 5.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.439 HD21 ' HG2' ' A' ' 25' ' ' MET . 29.0 mt -92.43 141.78 28.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.4 ttmm -122.73 112.0 17.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.431 HG12 HG22 ' A' ' 66' ' ' VAL . 4.2 t -109.96 145.27 16.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.46 ' C ' ' ND2' ' A' ' 82' ' ' ASN . 0.2 OUTLIER -147.83 151.38 35.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.693 HD13 HG21 ' A' ' 66' ' ' VAL . 10.9 mm -72.55 94.7 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.077 179.833 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.898 0.38 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.667 ' O ' HD23 ' A' ' 18' ' ' LEU . 2.8 m -84.16 151.99 24.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.667 HD23 ' O ' ' A' ' 17' ' ' THR . 10.3 mt -137.41 126.26 24.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -80.98 118.67 22.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.95 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.472 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 4.6 t -114.04 142.63 26.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.136 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -133.43 124.66 27.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.416 ' HA3' ' CG ' ' A' ' 25' ' ' MET . . . -138.78 -175.61 14.09 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.522 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -131.57 -42.25 1.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.914 0.387 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.526 ' O ' HG21 ' A' ' 77' ' ' VAL . 0.9 OUTLIER -122.74 43.48 2.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.416 ' CG ' ' HA3' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -118.96 151.9 37.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.8 p -121.97 158.21 55.57 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.541 0.686 . . . . 0.0 111.165 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -48.01 -55.47 3.99 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.657 2.238 . . . . 0.0 112.353 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.9 m -57.77 -30.55 65.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.164 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.441 ' CG ' ' HG3' ' A' ' 75' ' ' GLU . 6.0 tt -65.27 -47.5 76.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.435 HD11 ' CE ' ' A' ' 45' ' ' MET . 12.0 mt -64.0 -30.27 71.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.0 mtp180 -56.21 -41.05 74.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -92.37 -6.0 64.85 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.531 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.31 -33.66 13.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 0.0 111.105 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.637 ' CE2' HD12 ' A' ' 69' ' ' LEU . 35.0 m-85 -95.78 -29.31 14.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.575 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -51.34 -45.95 89.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.637 0.732 . . . . 0.0 110.841 -179.756 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' ' 35' ' ' SER . 64.8 Cg_exo -48.02 -20.56 2.18 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.708 2.272 . . . . 0.0 112.343 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -91.79 -35.78 13.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.67 -137.19 2.41 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -117.59 123.16 45.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.753 0.311 . . . . 0.0 110.89 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.586 HG21 ' HB2' ' A' ' 43' ' ' LEU . 49.9 mt -83.89 105.44 13.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.198 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.2 pt -91.05 -16.7 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -151.42 111.02 4.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.821 HD13 HG22 ' A' ' 54' ' ' VAL . 10.6 tp -133.81 109.68 9.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.9 t -120.29 148.54 43.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.435 ' CE ' HD11 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -125.49 141.86 51.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.548 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 42.1 m-20 -130.07 95.48 28.08 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.622 0.725 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.592 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 64.8 Cg_exo -47.93 -43.27 30.28 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.658 2.239 . . . . 0.0 112.41 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.592 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.6 Cg_exo -48.0 -65.32 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.705 2.27 . . . . 0.0 112.317 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.8 mmm-85 -85.98 0.8 52.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 49.92 50.51 18.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 26.4 p -134.35 175.42 9.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.413 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -153.82 152.34 30.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -117.15 102.73 9.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.899 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.821 HG22 HD13 ' A' ' 43' ' ' LEU . 66.4 t -101.6 117.53 47.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.089 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 53.2 m -106.03 135.26 47.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.402 ' CD2' HD11 ' A' ' 18' ' ' LEU . 29.4 m-85 -101.76 145.93 28.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -60.42 -18.36 50.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -129.18 157.31 42.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.418 ' HG2' ' N ' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -77.9 -29.66 50.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.897 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.418 ' N ' ' HG2' ' A' ' 59' ' ' MET . 2.5 pt-20 -59.36 -33.95 71.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.5 m -70.97 -36.59 72.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.866 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.575 ' HB1' HD21 ' A' ' 18' ' ' LEU . . . -53.58 -53.78 46.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.12 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.419 ' CG ' ' N ' ' A' ' 64' ' ' GLN . 0.2 OUTLIER -64.4 -47.42 79.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.476 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 32.9 mt-30 -51.55 -64.35 0.84 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -46.14 -61.97 1.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.098 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.527 HG22 HG12 ' A' ' 81' ' ' VAL . 12.9 t -51.1 -20.19 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -87.13 -35.89 18.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -98.03 -58.09 2.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.637 HD12 ' CE2' ' A' ' 34' ' ' PHE . 8.7 mt -54.81 -20.99 9.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.445 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -63.15 118.65 8.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 65.78 13.03 58.48 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.561 HG23 HG13 ' A' ' 74' ' ' VAL . 1.1 t -75.43 158.69 32.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.788 0.328 . . . . 0.0 111.138 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -120.7 95.0 4.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.561 HG13 HG23 ' A' ' 72' ' ' THR . 3.2 m -112.0 141.86 26.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.441 ' HG3' ' CG ' ' A' ' 29' ' ' LEU . 5.2 mm-40 52.07 39.45 26.51 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.7 m 58.57 29.01 17.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.526 HG21 ' O ' ' A' ' 24' ' ' ASP . 95.1 t -138.16 118.05 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.153 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -69.52 111.36 5.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.7 mt -95.1 133.03 39.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -114.08 106.64 14.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.527 HG12 HG22 ' A' ' 66' ' ' VAL . 14.0 t -105.45 149.55 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -152.79 149.16 28.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.527 HD13 HG21 ' A' ' 66' ' ' VAL . 9.2 mm -68.92 95.3 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.131 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 83' ' ' ILE . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.061 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.3 t30 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.936 0.398 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.865 ' O ' HD23 ' A' ' 18' ' ' LEU . 3.0 m -86.03 156.16 20.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.13 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.865 HD23 ' O ' ' A' ' 17' ' ' THR . 11.1 mt -138.42 127.05 23.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -83.85 102.46 12.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.956 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.537 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 41.7 t -96.14 145.87 8.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.163 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -135.62 132.74 37.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.97 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.422 ' HA3' ' CG ' ' A' ' 25' ' ' MET . . . -151.55 178.97 28.56 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.435 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -126.35 -48.75 1.56 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.868 0.366 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -118.8 45.96 1.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.422 ' CG ' ' HA3' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -115.18 157.87 23.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.1 p -129.33 153.99 80.59 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.57 0.7 . . . . 0.0 111.109 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_exo -47.98 -62.56 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.682 2.255 . . . . 0.0 112.325 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 86.4 m -45.9 -31.45 2.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.414 HD11 ' CB ' ' A' ' 75' ' ' GLU . 5.6 tt -69.38 -49.25 57.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.2 mt -61.09 -30.58 70.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.932 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.461 ' HA ' ' CD1' ' A' ' 40' ' ' ILE . 13.6 mtp85 -58.02 -44.41 87.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -89.38 -11.07 64.93 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.499 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.69 -32.62 16.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.802 0.334 . . . . 0.0 111.128 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.537 ' CZ ' HG21 ' A' ' 20' ' ' VAL . 28.1 m-85 -95.36 -28.03 15.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.93 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.574 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -52.51 -46.09 95.44 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.672 0.749 . . . . 0.0 110.871 -179.776 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 35' ' ' SER . 64.5 Cg_exo -47.97 -21.43 2.69 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.671 2.247 . . . . 0.0 112.339 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -91.9 -29.31 16.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 177.99 -139.76 4.35 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.523 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -115.05 122.28 45.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.748 0.309 . . . . 0.0 110.962 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.516 HG21 ' HB2' ' A' ' 43' ' ' LEU . 35.9 mt -83.34 105.4 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.086 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.5 pt -94.34 -21.01 5.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.152 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -143.77 106.04 4.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.881 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.728 HD13 HG22 ' A' ' 54' ' ' VAL . 6.9 tp -130.75 111.62 12.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.538 ' O ' ' HB1' ' A' ' 52' ' ' ALA . 9.1 t -121.53 145.59 47.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.637 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 1.8 mmt -130.62 135.91 48.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.535 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 16.0 t0 -132.64 95.54 19.89 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.592 0.71 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.582 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 64.3 Cg_exo -47.91 -43.36 29.92 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.696 2.264 . . . . 0.0 112.34 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 64.8 Cg_exo -47.93 -63.24 0.33 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.698 2.265 . . . . 0.0 112.35 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.8 mmt85 -79.91 -0.87 36.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 m120 50.49 47.1 24.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.5 p -147.96 170.82 16.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.637 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -150.03 168.37 24.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -131.66 108.01 9.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.728 HG22 HD13 ' A' ' 43' ' ' LEU . 65.7 t -104.09 134.53 45.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 51.2 m -117.69 149.97 39.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.171 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.435 ' CE2' HD11 ' A' ' 18' ' ' LEU . 21.7 m-85 -118.46 141.12 48.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -58.97 -16.28 17.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -136.34 112.61 9.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.461 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 10.6 ptp -37.81 -42.37 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 59' ' ' MET . 16.3 pt-20 -37.09 -51.97 0.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.929 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 72.6 m -57.93 -40.4 80.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.574 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -40.82 -57.4 1.95 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.127 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.421 ' OD1' ' C ' ' A' ' 63' ' ' ASP . 1.6 t0 -65.73 -40.13 91.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.483 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 27.8 mt-30 -54.5 -65.76 0.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -46.78 -57.93 4.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.087 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.565 HG21 HG12 ' A' ' 83' ' ' ILE . 14.6 t -52.75 -18.69 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -87.75 -37.91 16.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.068 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -97.75 -58.97 1.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.534 HD12 ' CE2' ' A' ' 34' ' ' PHE . 10.4 mt -52.33 -32.47 38.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -50.22 117.3 2.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 58.67 26.41 60.01 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.517 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.629 HG23 HG13 ' A' ' 74' ' ' VAL . 1.4 t -88.4 155.29 19.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.712 0.291 . . . . 0.0 111.166 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -114.66 95.72 5.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.629 HG13 HG23 ' A' ' 72' ' ' THR . 3.6 m -113.66 140.11 35.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.09 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.414 ' CB ' HD11 ' A' ' 29' ' ' LEU . 5.6 mm-40 54.56 30.7 13.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 t 68.51 29.99 5.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 39.5 t -138.34 116.99 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.12 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -71.93 100.45 2.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.8 mt -89.91 136.98 32.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 27.1 mttm -119.28 108.78 15.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.466 HG22 HG22 ' A' ' 20' ' ' VAL . 4.6 t -110.5 140.14 30.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.142 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -145.04 141.84 29.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.565 HG12 HG21 ' A' ' 66' ' ' VAL . 6.1 mm -66.38 109.26 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.119 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.138 179.794 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.959 0.409 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.3 m -84.6 153.66 23.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.789 HD21 ' HA ' ' A' ' 62' ' ' ALA . 7.3 mt -136.5 127.69 28.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -81.61 108.11 14.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.631 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 16.8 t -106.64 143.3 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.123 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.419 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 5.3 t80 -137.83 127.53 25.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.401 ' HA3' ' CG ' ' A' ' 25' ' ' MET . . . -138.84 -165.74 10.37 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.495 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -132.23 -56.4 0.97 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.891 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -114.15 41.58 2.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.457 ' HG2' ' CD2' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -109.95 151.79 26.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.6 p -124.6 156.91 67.22 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.663 0.744 . . . . 0.0 111.116 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -47.97 -62.56 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.661 2.241 . . . . 0.0 112.342 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 94.2 m -46.71 -34.18 4.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.167 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.447 ' O ' HD23 ' A' ' 29' ' ' LEU . 5.5 tt -66.79 -47.76 71.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.6 mt -61.12 -30.76 70.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.7 mtp180 -59.19 -41.11 87.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -91.35 -7.49 65.27 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.459 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.14 -34.55 13.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.81 0.338 . . . . 0.0 111.083 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.631 ' CZ ' HG21 ' A' ' 20' ' ' VAL . 36.9 m-85 -94.41 -22.75 18.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.572 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -58.37 -46.09 99.65 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.631 0.729 . . . . 0.0 110.856 -179.799 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 35' ' ' SER . 64.2 Cg_exo -47.9 -19.16 1.36 Allowed 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.691 2.26 . . . . 0.0 112.381 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.469 ' HE1' HD21 ' A' ' 69' ' ' LEU . 82.7 m-85 -91.36 -37.07 13.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.25 -129.4 1.17 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.508 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -123.82 133.77 53.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.81 0.338 . . . . 0.0 110.901 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.487 HG21 ' HB2' ' A' ' 43' ' ' LEU . 33.5 mt -96.7 113.72 31.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.082 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.5 pt -99.51 -24.01 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -141.67 107.75 5.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.714 HD13 HG22 ' A' ' 54' ' ' VAL . 8.1 tp -129.9 110.15 11.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.3 t -129.76 134.8 47.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.828 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.827 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 0.8 OUTLIER -107.32 151.45 25.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.87 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.544 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 16.7 t70 -129.18 95.6 30.53 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.586 0.708 . . . . 0.0 110.845 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.596 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 65.1 Cg_exo -47.96 -43.42 30.05 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.753 2.302 . . . . 0.0 112.297 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 64.0 Cg_exo -47.93 -65.2 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.698 2.265 . . . . 0.0 112.359 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -89.59 12.36 16.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.0 m120 40.85 44.06 1.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 7.5 p -120.68 -177.92 3.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.827 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -156.79 148.53 22.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.083 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -119.64 102.77 8.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.714 HG22 HD13 ' A' ' 43' ' ' LEU . 45.8 t -101.65 115.2 42.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.148 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.3 m -97.32 139.79 32.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.543 ' CE2' HD11 ' A' ' 18' ' ' LEU . 14.5 m-85 -107.57 142.16 37.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -58.64 -19.9 43.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -128.15 166.55 18.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.25 -21.05 27.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.834 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -61.39 -45.02 96.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.48 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 48.9 m -59.76 -48.5 81.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.789 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -40.31 -60.9 0.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.089 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -63.26 -41.0 98.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.436 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 9.0 mt-30 -55.43 -67.21 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -47.23 -59.98 2.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 1.027 HG21 HD13 ' A' ' 83' ' ' ILE . 17.5 t -47.99 -21.68 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -88.75 -36.84 15.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.065 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -97.58 -58.44 2.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.604 HD12 ' CE2' ' A' ' 34' ' ' PHE . 9.8 mt -54.93 -17.12 3.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -65.89 118.36 9.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 61.17 18.01 53.85 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.492 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.594 HG23 HG13 ' A' ' 74' ' ' VAL . 1.3 t -82.56 153.62 25.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.743 0.306 . . . . 0.0 111.124 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -114.9 95.12 5.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.594 HG13 HG23 ' A' ' 72' ' ' THR . 3.2 m -109.71 140.69 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.405 ' HG3' HD21 ' A' ' 29' ' ' LEU . 8.6 mm-40 55.39 29.1 12.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.4 p 68.92 29.3 5.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 43.1 t -138.24 118.91 16.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.132 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -73.42 112.79 9.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.457 ' CD2' ' HG2' ' A' ' 25' ' ' MET . 46.8 mt -102.52 140.55 36.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -118.19 106.11 12.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.515 HG22 HG22 ' A' ' 20' ' ' VAL . 16.7 t -104.69 145.87 12.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -147.08 155.58 42.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 1.027 HD13 HG21 ' A' ' 66' ' ' VAL . 14.6 mm -73.14 94.87 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.091 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.092 179.789 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.905 0.383 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.569 ' O ' HD23 ' A' ' 18' ' ' LEU . 9.1 m -88.73 156.16 19.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.848 HD21 ' HA ' ' A' ' 62' ' ' ALA . 8.8 mt -139.34 128.28 23.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -81.35 108.87 15.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.659 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 21.5 t -108.68 146.56 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.129 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -143.09 118.08 10.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.42 -174.92 13.83 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.514 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.548 ' CD ' ' N ' ' A' ' 23' ' ' GLU . 2.8 mp0 -117.36 -70.32 0.8 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.855 0.36 . . . . 0.0 110.868 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -103.5 52.68 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.508 ' HG2' HD21 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -120.41 149.52 42.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.7 p -120.06 156.44 54.62 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.617 0.723 . . . . 0.0 111.107 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_exo -47.99 -53.04 7.22 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.648 2.232 . . . . 0.0 112.346 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 59.8 m -55.62 -33.38 63.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.122 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.525 ' O ' HD23 ' A' ' 29' ' ' LEU . 5.7 tt -65.17 -47.14 78.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.8 mt -62.32 -31.47 72.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.517 ' HG2' HD23 ' A' ' 43' ' ' LEU . 42.4 mtt-85 -56.04 -43.12 77.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.859 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -90.93 -4.5 69.23 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.07 -32.78 12.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.854 0.359 . . . . 0.0 111.098 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.659 ' CZ ' HG21 ' A' ' 20' ' ' VAL . 23.8 m-85 -95.46 -26.63 15.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.586 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -51.62 -46.03 91.11 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.661 0.743 . . . . 0.0 110.846 -179.756 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 35' ' ' SER . 66.1 Cg_exo -48.0 -37.75 30.4 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.697 2.264 . . . . 0.0 112.318 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.433 ' HE1' HD21 ' A' ' 69' ' ' LEU . 93.3 m-85 -76.42 -37.79 56.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.08 -166.55 32.37 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.504 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -92.54 117.35 29.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.353 . . . . 0.0 110.85 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.439 HG21 ' HB2' ' A' ' 43' ' ' LEU . 33.4 mt -76.33 114.34 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.1 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.449 HG21 ' OE1' ' A' ' 57' ' ' GLU . 13.1 pt -101.47 -18.9 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.163 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -149.03 108.43 3.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.963 HD13 HG22 ' A' ' 54' ' ' VAL . 12.8 tp -134.6 113.18 11.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.4 m -127.02 145.5 50.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.752 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 0.9 OUTLIER -121.46 136.04 54.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.542 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 4.5 m-20 -122.09 95.68 47.2 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.612 0.72 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.585 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 65.1 Cg_exo -47.97 -43.31 30.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.671 2.247 . . . . 0.0 112.349 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.6 Cg_exo -48.01 -32.74 18.87 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.705 2.27 . . . . 0.0 112.319 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.6 mmm-85 -120.94 14.58 11.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.1 m120 36.54 37.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 27.4 p -122.63 170.09 10.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.752 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -145.52 157.84 43.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -127.55 101.2 6.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.963 HG22 HD13 ' A' ' 43' ' ' LEU . 45.6 t -98.31 125.63 51.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.177 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.9 m -108.81 136.61 48.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.622 ' CD2' HD11 ' A' ' 18' ' ' LEU . 28.4 m-85 -107.17 144.44 33.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.449 ' OE1' HG21 ' A' ' 41' ' ' ILE . 7.8 tp10 -60.24 -34.59 73.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.9 148.73 31.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.32 -25.93 63.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.835 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -57.76 -44.11 85.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.466 ' HB2' ' CB ' ' A' ' 56' ' ' TYR . 50.7 m -59.22 -48.66 80.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.848 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -40.97 -56.35 2.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.043 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -67.61 -42.62 82.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.458 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 20.3 mt-30 -55.34 -67.65 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -45.0 -57.49 3.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.12 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.733 HG21 HD13 ' A' ' 83' ' ' ILE . 15.9 t -53.79 -21.53 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -84.41 -37.01 21.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.413 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 10.4 mt-10 -97.6 -58.34 2.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 65' ' ' ALA . 8.6 mt -52.43 -22.87 5.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -59.11 115.77 3.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 59.27 25.81 60.72 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.526 HG23 HG13 ' A' ' 74' ' ' VAL . 1.9 t -86.25 159.22 19.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.767 0.318 . . . . 0.0 111.178 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -118.84 95.17 4.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.526 HG13 HG23 ' A' ' 72' ' ' THR . 3.7 m -112.71 139.93 35.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 54.55 33.74 19.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 48.1 m 64.83 29.82 12.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 49.5 t -138.48 124.17 24.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.179 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -77.51 112.93 14.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.96 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.508 HD21 ' HG2' ' A' ' 25' ' ' MET . 14.4 mt -100.79 138.12 38.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.942 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -116.81 106.67 13.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.565 HG13 HG22 ' A' ' 20' ' ' VAL . 6.3 t -106.6 149.85 9.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.14 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 43.0 m-20 -152.82 150.26 29.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.733 HD13 HG21 ' A' ' 66' ' ' VAL . 15.8 mm -67.95 97.14 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.167 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.067 179.828 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.951 0.405 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.7 m -84.33 149.36 26.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.171 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.753 HD11 ' CD2' ' A' ' 56' ' ' TYR . 7.7 mt -132.76 128.8 37.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -82.56 110.71 17.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.547 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 17.3 t -103.51 147.03 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.12 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.506 ' HD1' ' HG ' ' A' ' 51' ' ' CYS . 8.5 t80 -137.55 139.61 40.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.409 ' HA3' ' CG ' ' A' ' 25' ' ' MET . . . -158.64 178.7 34.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.455 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.542 ' CD ' ' N ' ' A' ' 23' ' ' GLU . 2.8 mp0 -119.1 -61.15 1.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.881 0.372 . . . . 0.0 110.896 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -109.96 50.6 0.79 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.468 ' HG2' HD21 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -120.8 150.31 41.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.6 p -122.1 158.52 55.02 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.538 0.685 . . . . 0.0 111.16 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -47.95 -61.68 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.69 2.26 . . . . 0.0 112.363 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 94.7 m -44.56 -35.88 2.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.451 HD11 ' CB ' ' A' ' 75' ' ' GLU . 6.1 tt -65.14 -53.23 48.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.5 mt -56.43 -31.62 64.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.442 ' HG2' HD23 ' A' ' 43' ' ' LEU . 35.7 mtp180 -58.72 -40.57 84.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -91.56 -5.35 67.0 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.494 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.7 -33.82 12.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.803 0.335 . . . . 0.0 111.103 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.669 ' CE2' HD12 ' A' ' 69' ' ' LEU . 35.0 m-85 -94.6 -25.31 16.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.576 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -56.84 -45.93 99.9 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.679 0.752 . . . . 0.0 110.863 -179.756 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' ' 35' ' ' SER . 65.9 Cg_exo -47.99 -20.32 2.03 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.677 2.252 . . . . 0.0 112.309 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -90.61 -33.6 15.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -178.41 -124.49 0.87 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.459 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -125.73 140.67 52.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.853 0.359 . . . . 0.0 110.883 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.578 HD11 ' HB2' ' A' ' 34' ' ' PHE . 68.3 mt -104.15 110.3 29.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.2 pt -95.3 -24.23 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -143.42 113.76 7.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.841 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.696 HD13 HG22 ' A' ' 54' ' ' VAL . 4.3 tp -135.95 112.88 10.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.45 ' N ' HD12 ' A' ' 43' ' ' LEU . 6.9 t -122.65 147.3 46.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.617 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 0.3 OUTLIER -127.7 141.67 51.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.543 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 8.6 m-20 -126.87 95.6 36.9 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.596 0.713 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.597 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 64.8 Cg_exo -47.97 -43.39 30.19 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.679 2.252 . . . . 0.0 112.321 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.0 Cg_exo -47.92 -62.13 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.657 2.238 . . . . 0.0 112.392 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -85.99 -2.9 58.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.8 m120 55.87 35.69 25.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.506 ' HG ' ' HD1' ' A' ' 21' ' ' TYR . 50.7 m -121.65 -178.36 3.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.617 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -156.98 172.69 18.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.087 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -142.36 109.05 5.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.696 HG22 HD13 ' A' ' 43' ' ' LEU . 60.6 t -106.02 132.94 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.152 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.4 m -116.08 128.95 56.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.183 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.753 ' CD2' HD11 ' A' ' 18' ' ' LEU . 27.3 m-85 -96.24 143.12 27.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -58.47 -18.7 30.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -132.46 163.02 29.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.39 -23.48 30.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -62.88 -19.95 64.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.3 m -90.83 -30.17 17.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.706 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -55.69 -54.45 44.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.079 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.36 -39.45 92.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.43 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 40.3 mt-30 -56.77 -68.21 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -46.47 -56.99 5.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.93 HG21 HD13 ' A' ' 83' ' ' ILE . 12.0 t -54.86 -17.31 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.155 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -91.46 -33.78 15.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -97.54 -58.0 2.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.888 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.669 HD12 ' CE2' ' A' ' 34' ' ' PHE . 9.2 mt -55.84 -21.11 18.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -55.77 115.85 2.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 56.75 23.91 46.4 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.48 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.616 HG23 HG13 ' A' ' 74' ' ' VAL . 1.3 t -82.76 154.12 24.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.719 0.295 . . . . 0.0 111.14 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -114.93 95.48 5.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.616 HG13 HG23 ' A' ' 72' ' ' THR . 3.2 m -115.87 143.91 24.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.451 ' CB ' HD11 ' A' ' 29' ' ' LEU . 6.0 mm-40 53.83 36.77 24.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.1 m 61.6 28.38 17.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 94.7 t -138.02 127.01 32.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.137 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -80.24 105.51 11.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.468 HD21 ' HG2' ' A' ' 25' ' ' MET . 40.4 mt -95.73 141.24 29.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.04 113.43 19.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.613 HG12 HG22 ' A' ' 66' ' ' VAL . 8.0 t -109.37 145.11 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -148.14 157.28 43.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.93 HD13 HG21 ' A' ' 66' ' ' VAL . 11.0 mm -77.26 95.01 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 179.812 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.863 0.363 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.3 m -87.36 151.77 22.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.166 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.831 HD21 ' HA ' ' A' ' 62' ' ' ALA . 4.6 mt -129.89 131.7 46.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -87.11 98.91 11.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.95 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.7 t -94.13 139.59 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.117 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -141.23 122.51 14.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -137.49 -153.45 6.35 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.454 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -131.07 -61.68 0.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.834 0.35 . . . . 0.0 110.893 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -114.13 42.7 2.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.524 ' SD ' HD22 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -103.26 139.92 38.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 73.4 p -114.15 155.52 45.43 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.602 0.715 . . . . 0.0 111.113 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -47.95 -61.1 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.705 2.27 . . . . 0.0 112.368 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 90.0 m -49.5 -33.18 13.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.527 HD11 ' CB ' ' A' ' 75' ' ' GLU . 6.0 tt -66.42 -48.83 68.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.3 mt -59.85 -28.07 67.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.444 ' NH1' ' HB3' ' A' ' 31' ' ' ARG . 9.2 mtp-105 -63.4 -39.01 93.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -92.94 -11.56 58.74 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.24 -30.64 13.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.826 0.346 . . . . 0.0 111.084 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.483 ' CZ ' HD13 ' A' ' 69' ' ' LEU . 17.9 m-85 -96.52 -22.74 16.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.587 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -55.36 -46.0 99.77 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.65 0.738 . . . . 0.0 110.864 -179.788 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 35' ' ' SER . 64.8 Cg_exo -47.97 -23.44 4.31 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.661 2.241 . . . . 0.0 112.355 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.526 ' CE2' ' HG ' ' A' ' 69' ' ' LEU . 90.8 m-85 -88.89 -35.8 16.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 179.78 -158.14 21.58 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.485 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -96.16 137.26 35.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.34 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.445 HD11 ' HB2' ' A' ' 34' ' ' PHE . 88.9 mt -99.55 112.11 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.1 pt -99.89 -20.96 5.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -146.54 106.62 4.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.934 HD13 HG22 ' A' ' 54' ' ' VAL . 3.8 tp -128.27 115.6 18.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.588 ' O ' ' HB1' ' A' ' 52' ' ' ALA . 29.1 t -122.16 149.89 42.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.823 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.52 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 0.5 OUTLIER -133.37 140.32 47.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.918 179.913 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.546 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 15.5 m-20 -130.77 95.6 25.58 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.588 0.709 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.597 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 65.7 Cg_exo -47.99 -43.27 30.63 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.731 2.287 . . . . 0.0 112.298 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 64.8 Cg_exo -47.91 -59.89 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.724 2.283 . . . . 0.0 112.354 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -88.8 5.23 44.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 47.61 35.1 4.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 12.7 p -125.45 -179.09 4.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.588 ' HB1' ' O ' ' A' ' 44' ' ' SER . . . -160.73 169.28 23.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.081 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -134.41 102.26 5.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.934 HG22 HD13 ' A' ' 43' ' ' LEU . 66.6 t -100.33 132.4 46.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.118 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 27.0 m -114.55 138.48 50.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.588 ' CD2' HD11 ' A' ' 18' ' ' LEU . 13.2 m-85 -106.23 140.98 38.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -53.22 -23.51 8.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -125.42 162.83 23.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.5 ptm -82.21 -29.9 31.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.481 ' HG3' ' N ' ' A' ' 61' ' ' SER . 10.1 pt-20 -55.25 -43.1 74.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.481 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 53.8 m -64.35 -36.75 85.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.909 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.831 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -51.21 -54.93 21.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.155 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -67.5 -31.46 71.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.478 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 34.4 mt-30 -61.03 -65.44 0.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -47.51 -57.33 5.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.461 HG21 HG12 ' A' ' 83' ' ' ILE . 8.2 t -54.04 -15.69 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -91.19 -40.8 11.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -98.14 -59.02 1.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.526 ' HG ' ' CE2' ' A' ' 37' ' ' PHE . 11.2 mt -54.97 -14.35 1.45 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -66.07 118.33 9.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 60.65 20.97 57.3 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.558 HG23 HG13 ' A' ' 74' ' ' VAL . 1.3 t -87.01 154.17 20.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.738 0.304 . . . . 0.0 111.131 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -115.08 97.92 6.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.558 HG13 HG23 ' A' ' 72' ' ' THR . 3.4 m -111.72 142.55 23.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.527 ' CB ' HD11 ' A' ' 29' ' ' LEU . 55.7 mm-40 54.86 25.14 6.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.2 m 74.75 28.37 1.17 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.611 HG12 HD23 ' A' ' 79' ' ' LEU . 84.1 t -138.54 117.09 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.144 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -74.47 104.32 5.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.611 HD23 HG12 ' A' ' 77' ' ' VAL . 7.8 mt -92.43 150.6 20.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -127.14 107.67 10.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.934 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.432 ' CG1' ' HB3' ' A' ' 18' ' ' LEU . 2.4 t -104.09 129.68 55.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -136.87 137.36 39.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.461 HG12 HG21 ' A' ' 66' ' ' VAL . 7.7 mm -65.86 98.04 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.092 179.814 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.9 p-10 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.919 0.39 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.5 m -84.99 152.69 23.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.177 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.668 HD22 HG23 ' A' ' 66' ' ' VAL . 10.5 mt -135.36 127.1 29.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.933 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -82.04 107.98 15.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.963 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.639 HG13 HG22 ' A' ' 81' ' ' VAL . 6.0 t -103.76 149.38 7.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.138 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.471 ' CD1' ' N ' ' A' ' 22' ' ' GLY . 11.9 t80 -132.98 148.63 52.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.471 ' N ' ' CD1' ' A' ' 21' ' ' TYR . . . -167.73 177.46 42.06 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.464 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -131.61 -34.56 1.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.922 0.391 . . . . 0.0 110.912 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -126.06 40.98 3.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.503 ' HG2' HD21 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -117.5 154.12 31.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.4 p -124.56 157.26 66.05 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.579 0.705 . . . . 0.0 111.148 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_exo -47.98 -62.52 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.693 2.262 . . . . 0.0 112.332 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 75.4 m -49.55 -33.35 14.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.155 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.6 tt -62.29 -47.14 85.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.928 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.4 mt -64.31 -31.86 73.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.96 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.708 ' CD ' HD23 ' A' ' 43' ' ' LEU . 31.5 mmm-85 -55.59 -49.09 73.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -83.61 -12.96 76.91 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.505 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.01 -30.49 19.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.83 0.347 . . . . 0.0 111.094 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.826 ' HB2' HD11 ' A' ' 40' ' ' ILE . 16.5 m-85 -96.71 -13.43 22.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.575 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 0.6 OUTLIER -57.29 -45.89 99.87 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.668 0.747 . . . . 0.0 110.824 -179.778 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' ' 35' ' ' SER . 65.7 Cg_exo -47.93 -51.67 9.51 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.743 2.296 . . . . 0.0 112.343 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.551 ' CE2' ' HG ' ' A' ' 69' ' ' LEU . 98.1 m-85 -61.65 -39.03 89.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 177.94 -155.6 17.6 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.452 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -97.07 142.78 28.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.778 0.323 . . . . 0.0 110.899 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.826 HD11 ' HB2' ' A' ' 34' ' ' PHE . 69.6 mt -102.36 109.83 27.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.137 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.8 pt -95.07 -26.36 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.122 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -139.06 112.77 8.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.894 HD13 HG22 ' A' ' 54' ' ' VAL . 7.7 tp -137.77 115.59 11.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.957 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.8 t -128.59 133.93 48.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.792 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 1.0 OUTLIER -111.93 136.0 51.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.548 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 21.9 m-20 -119.81 95.48 49.19 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.611 0.719 . . . . 0.0 110.932 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.591 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 64.8 Cg_exo -47.89 -43.39 29.74 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.703 2.268 . . . . 0.0 112.343 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.0 Cg_exo -47.97 -63.94 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.632 2.221 . . . . 0.0 112.367 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.83 10.36 11.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.1 m120 42.26 40.33 1.73 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 98.8 m -126.82 -177.37 4.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.792 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -156.5 164.85 37.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.088 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -136.28 105.4 5.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.894 HG22 HD13 ' A' ' 43' ' ' LEU . 40.6 t -103.42 136.56 35.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.146 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 50.2 m -116.06 145.08 43.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.479 ' CD2' HD11 ' A' ' 18' ' ' LEU . 24.7 m-85 -112.93 140.83 47.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -58.67 -22.82 57.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.6 mttp -130.03 135.44 48.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.421 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 9.8 ptp -55.12 -40.68 70.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 59' ' ' MET . 10.5 pt-20 -36.25 -53.3 0.82 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 62' ' ' ALA . 24.0 m -58.03 -48.86 78.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.632 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -33.79 -63.03 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.101 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -62.25 -44.62 96.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.465 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 23.5 mt-30 -52.81 -66.1 0.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.523 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . . . -48.35 -62.13 1.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.901 HG21 HD13 ' A' ' 83' ' ' ILE . 16.5 t -49.82 -21.8 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.125 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -84.89 -36.97 21.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.057 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -97.85 -58.42 1.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.551 ' HG ' ' CE2' ' A' ' 37' ' ' PHE . 9.0 mt -53.88 -15.22 1.23 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.19 108.56 3.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 68.37 22.03 74.52 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.428 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.647 HG23 HG13 ' A' ' 74' ' ' VAL . 3.0 t -85.74 151.13 24.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.703 0.287 . . . . 0.0 111.152 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -107.77 97.47 7.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.647 HG13 HG23 ' A' ' 72' ' ' THR . 3.3 m -114.9 140.04 38.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.084 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 55.25 29.06 12.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.6 t 69.88 29.77 3.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.856 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.5 t -138.54 125.53 26.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.12 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -78.15 102.66 7.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.503 HD21 ' HG2' ' A' ' 25' ' ' MET . 30.0 mt -93.3 139.98 30.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 38.3 mttp -120.43 108.28 13.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.639 HG22 HG13 ' A' ' 20' ' ' VAL . 12.5 t -106.52 148.04 11.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -148.1 160.11 43.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.901 HD13 HG21 ' A' ' 66' ' ' VAL . 10.6 mm -75.74 94.85 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.117 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.815 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.6 p-10 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.894 0.378 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.3 m -85.2 147.29 26.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.789 HD21 ' HA ' ' A' ' 62' ' ' ALA . 8.1 mt -127.71 136.86 52.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -91.98 110.92 22.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.942 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.547 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 13.6 t -106.07 149.7 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.168 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.4 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 9.2 t80 -138.86 120.43 15.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.967 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -135.76 -174.5 13.41 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.504 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -128.72 -60.08 1.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.901 0.382 . . . . 0.0 110.935 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -108.84 46.2 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.848 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.84 154.39 31.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 p -124.24 157.31 64.83 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-O 121.61 0.719 . . . . 0.0 111.107 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -48.0 -64.51 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.686 2.257 . . . . 0.0 112.305 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 94.7 m -46.05 -32.87 3.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.429 ' O ' HD23 ' A' ' 29' ' ' LEU . 5.5 tt -65.67 -48.56 71.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.9 mt -62.74 -31.45 72.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.467 ' HG2' HD23 ' A' ' 43' ' ' LEU . 23.7 mtm180 -55.67 -43.8 76.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -90.33 -3.37 72.38 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.511 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.59 -37.05 11.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.82 0.343 . . . . 0.0 111.089 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.668 ' CE2' HD12 ' A' ' 69' ' ' LEU . 41.9 m-85 -94.36 -17.93 22.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.586 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -58.88 -46.0 99.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.68 0.753 . . . . 0.0 110.866 -179.792 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 35' ' ' SER . 64.4 Cg_exo -47.97 -38.02 30.65 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.681 2.254 . . . . 0.0 112.355 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.491 ' HE1' HD21 ' A' ' 69' ' ' LEU . 86.7 m-85 -74.84 -37.74 62.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -176.85 -161.87 26.38 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.505 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -93.53 131.48 38.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.81 0.338 . . . . 0.0 110.852 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.487 HG21 ' HB2' ' A' ' 43' ' ' LEU . 45.9 mt -92.95 115.14 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.142 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.9 pt -99.45 -19.3 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.095 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -146.95 109.78 4.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.654 HD13 HG22 ' A' ' 54' ' ' VAL . 7.0 tp -132.42 106.21 7.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 29.7 t -117.33 143.74 45.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.931 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 20.9 mmm -126.84 127.42 44.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.542 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 28.8 m-20 -120.51 95.59 49.0 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.625 0.726 . . . . 0.0 110.865 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.579 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 63.8 Cg_exo -47.95 -43.31 30.28 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.668 2.245 . . . . 0.0 112.395 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.4 Cg_exo -47.98 -60.79 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.62 2.214 . . . . 0.0 112.378 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -85.3 4.76 33.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 44.91 53.77 7.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 29.2 p -148.41 175.96 10.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.931 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -153.75 165.79 34.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.079 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -128.47 103.68 7.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.654 HG22 HD13 ' A' ' 43' ' ' LEU . 44.9 t -102.72 114.78 43.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.2 m -101.28 144.18 30.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.158 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.641 ' CD2' HD11 ' A' ' 18' ' ' LEU . 15.1 m-85 -110.55 144.14 39.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.936 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -59.55 -18.06 37.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.868 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt -134.45 156.36 48.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.478 ' SD ' ' N ' ' A' ' 60' ' ' GLU . 4.2 ppp? -71.22 -46.36 61.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.88 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.478 ' N ' ' SD ' ' A' ' 59' ' ' MET . 16.8 pt-20 -37.99 -44.51 0.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.473 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 63.0 m -63.48 -51.23 66.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.789 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -39.38 -59.44 1.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.081 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -62.63 -45.17 94.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.466 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 35.7 mt-30 -51.65 -64.62 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -47.28 -59.43 3.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.565 HG22 HG12 ' A' ' 81' ' ' VAL . 10.8 t -53.22 -18.03 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -89.08 -36.94 15.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -97.98 -58.92 1.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.668 HD12 ' CE2' ' A' ' 34' ' ' PHE . 8.3 mt -51.89 -36.76 49.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 69' ' ' LEU . 0.5 OUTLIER -37.29 114.83 0.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 51.22 39.88 43.62 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.467 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.482 HG23 HG13 ' A' ' 74' ' ' VAL . 8.0 t -90.39 157.99 17.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.759 0.314 . . . . 0.0 111.142 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -114.13 95.37 5.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.482 HG13 HG23 ' A' ' 72' ' ' THR . 1.9 m -116.99 139.49 43.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.404 ' CD ' ' HG ' ' A' ' 29' ' ' LEU . 20.2 mt-10 54.14 29.91 11.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.4 p 69.24 31.59 3.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 77.1 t -138.3 128.4 34.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.13 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -81.47 109.44 15.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.1 mt -98.33 139.2 34.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.943 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 31.0 mttp -119.44 104.81 10.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.875 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.565 HG12 HG22 ' A' ' 66' ' ' VAL . 19.4 t -104.1 145.68 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.139 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -152.55 151.84 31.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.435 HD13 HG21 ' A' ' 66' ' ' VAL . 10.4 mm -70.52 95.4 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.133 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 83' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.085 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.927 0.394 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.1 m -86.21 156.18 20.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.12 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.856 HD21 ' HA ' ' A' ' 62' ' ' ALA . 14.7 mt -134.87 128.58 32.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -84.4 111.61 19.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.461 HG22 HG13 ' A' ' 81' ' ' VAL . 16.0 t -108.35 147.5 13.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.096 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -140.8 123.18 15.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.923 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -137.93 -174.86 13.57 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.508 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -126.3 -60.52 1.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.35 . . . . 0.0 110.909 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -110.17 47.47 0.96 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.84 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.43 155.5 29.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.6 p -126.43 153.9 74.98 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.614 0.721 . . . . 0.0 111.112 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -47.97 -59.77 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.687 2.258 . . . . 0.0 112.365 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 54.2 m -45.92 -35.14 4.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.136 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.466 HD11 ' CB ' ' A' ' 75' ' ' GLU . 6.1 tt -66.76 -49.53 65.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.436 HD11 ' CE ' ' A' ' 45' ' ' MET . 15.1 mt -58.25 -31.12 67.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -58.84 -41.32 86.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.82 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -90.67 -9.65 64.2 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.504 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.12 -31.92 14.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.851 0.358 . . . . 0.0 111.096 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.476 ' HB2' HD11 ' A' ' 40' ' ' ILE . 27.7 m-85 -96.43 -23.39 16.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.587 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -55.53 -46.0 99.78 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.665 0.745 . . . . 0.0 110.86 -179.796 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 35' ' ' SER . 63.7 Cg_exo -47.94 -37.62 29.69 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.67 2.247 . . . . 0.0 112.372 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.411 ' HE1' HD21 ' A' ' 69' ' ' LEU . 95.1 m-85 -75.84 -37.48 58.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -176.35 -162.91 27.96 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -94.37 124.78 38.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.776 0.322 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.487 HG21 ' HB2' ' A' ' 43' ' ' LEU . 43.3 mt -84.56 114.76 25.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.9 pt -101.56 -21.23 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -145.0 106.23 4.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.869 HD13 HG22 ' A' ' 54' ' ' VAL . 9.4 tp -128.1 109.86 11.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 m -118.08 136.45 53.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.827 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.72 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 1.4 mmt -124.03 131.89 53.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.54 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 1.4 m-20 -125.04 95.59 41.6 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.576 0.703 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.586 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 65.7 Cg_exo -47.96 -43.34 30.27 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.663 2.242 . . . . 0.0 112.361 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.0 Cg_exo -47.95 -63.74 0.29 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.702 2.268 . . . . 0.0 112.352 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 -81.68 6.26 15.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 44.05 48.35 7.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 24.3 p -145.88 173.81 11.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.72 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -153.68 167.9 28.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.09 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -134.81 101.82 5.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.869 HG22 HD13 ' A' ' 43' ' ' LEU . 71.5 t -96.09 130.42 44.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.101 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 90.0 m -110.24 139.5 45.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.172 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.587 ' CD2' ' HB3' ' A' ' 61' ' ' SER . 15.6 m-85 -108.96 141.75 40.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -58.25 -32.3 68.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.4 mtpt -125.22 121.42 34.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.95 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.466 ' HG2' ' N ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -44.03 -36.7 2.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 179.887 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.466 ' N ' ' HG2' ' A' ' 59' ' ' MET . 6.7 mt-10 -39.14 -32.66 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.587 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 36.2 m -78.38 -47.25 18.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.856 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -36.0 -57.0 0.71 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -65.42 -45.5 83.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.457 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 15.1 mt-30 -54.02 -66.38 0.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -47.15 -58.64 3.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.634 HG21 HD13 ' A' ' 83' ' ' ILE . 12.5 t -53.88 -20.21 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.169 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -85.69 -38.19 18.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.084 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -97.88 -58.46 1.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 65' ' ' ALA . 9.3 mt -52.75 -21.02 3.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -61.69 118.15 6.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 60.53 21.83 58.21 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.501 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.477 HG23 HG13 ' A' ' 74' ' ' VAL . 1.7 t -84.67 157.5 21.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.696 0.284 . . . . 0.0 111.16 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -119.75 97.39 5.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.477 HG13 HG23 ' A' ' 72' ' ' THR . 3.4 m -112.05 143.73 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.466 ' CB ' HD11 ' A' ' 29' ' ' LEU . 30.5 mm-40 53.44 26.74 5.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.8 t 72.89 30.51 1.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.5 t -138.2 127.55 33.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.111 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -81.16 105.97 12.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 29.0 mt -95.73 137.83 34.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -115.83 108.8 16.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.478 HG12 HG22 ' A' ' 66' ' ' VAL . 5.3 t -110.54 144.08 19.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -149.28 155.69 40.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.846 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.634 HD13 HG21 ' A' ' 66' ' ' VAL . 13.3 mm -70.7 95.91 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.117 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.795 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.6 p-10 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.87 0.367 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.4 m -85.4 155.34 21.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.723 HD21 ' HA ' ' A' ' 62' ' ' ALA . 12.4 mt -135.84 128.05 30.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -83.88 107.54 16.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.948 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.499 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 37.0 t -106.96 143.24 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.129 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.492 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 0.3 OUTLIER -139.01 135.01 33.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.876 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -147.71 -162.82 10.29 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.469 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -135.04 -45.8 0.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.865 0.364 . . . . 0.0 110.841 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.573 ' O ' HG21 ' A' ' 77' ' ' VAL . 14.0 m-20 -122.82 45.86 2.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.761 ' SD ' HD22 ' A' ' 79' ' ' LEU . 0.1 OUTLIER -117.88 139.65 50.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.7 p -112.63 155.61 43.64 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.543 0.687 . . . . 0.0 111.127 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo -48.0 -49.81 13.15 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.675 2.25 . . . . 0.0 112.296 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 87.0 m -58.53 -30.24 66.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.517 HD11 ' CB ' ' A' ' 75' ' ' GLU . 6.3 tt -68.4 -52.43 33.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.3 mt -57.22 -28.93 63.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.937 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.448 ' HA ' ' CD1' ' A' ' 40' ' ' ILE . 48.6 mtt-85 -61.98 -39.01 90.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -93.05 -12.1 58.02 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.05 -31.7 14.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.797 0.332 . . . . 0.0 111.088 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.536 ' CZ ' HD13 ' A' ' 69' ' ' LEU . 17.3 m-85 -95.19 -17.43 21.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.819 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.594 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -59.42 -45.69 98.93 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.713 0.768 . . . . 0.0 110.873 -179.81 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 35' ' ' SER . 64.5 Cg_exo -47.99 -34.93 24.08 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.692 2.261 . . . . 0.0 112.374 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.469 ' HE1' HD21 ' A' ' 69' ' ' LEU . 92.1 m-85 -77.14 -36.02 55.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -178.99 -148.22 7.56 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -104.98 138.41 41.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.755 0.312 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.513 HD11 ' HB2' ' A' ' 34' ' ' PHE . 60.1 mt -99.98 113.24 34.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 12.8 pt -99.83 -33.16 3.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -134.6 106.48 7.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.78 HD13 HG22 ' A' ' 54' ' ' VAL . 3.4 tp -129.67 109.94 11.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.425 ' N ' HD12 ' A' ' 43' ' ' LEU . 11.3 p -120.23 141.87 49.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.416 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -120.77 140.06 52.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.547 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 6.6 t70 -126.0 95.67 38.97 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.589 0.709 . . . . 0.0 110.851 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.598 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 65.0 Cg_exo -48.03 -43.28 30.79 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.669 2.246 . . . . 0.0 112.365 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.6 Cg_exo -47.97 -62.24 0.47 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.699 2.266 . . . . 0.0 112.312 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -91.9 12.23 22.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.5 m120 41.64 38.36 0.91 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.1 p -120.99 177.94 4.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.416 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -159.86 156.55 27.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.094 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -121.75 99.43 6.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.855 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.78 HG22 HD13 ' A' ' 43' ' ' LEU . 96.1 t -96.04 130.08 45.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.083 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 39.8 m -113.39 131.23 56.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.133 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.632 ' CD2' HD11 ' A' ' 18' ' ' LEU . 27.9 m-85 -99.84 141.4 32.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -55.65 -25.38 38.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 33.2 mttm -121.04 162.14 20.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.7 ptm -81.18 -30.64 34.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.471 ' HG3' ' N ' ' A' ' 61' ' ' SER . 14.2 pt-20 -55.34 -43.04 74.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.471 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 56.3 m -58.61 -43.52 89.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.723 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -45.09 -60.07 2.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.042 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -64.41 -39.91 94.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.821 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.462 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 17.0 mt-30 -55.34 -66.73 0.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -47.39 -56.14 7.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.7 HG23 HD22 ' A' ' 18' ' ' LEU . 6.7 t -52.33 -17.13 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -91.49 -38.21 12.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.111 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -98.13 -58.46 1.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.536 HD13 ' CZ ' ' A' ' 34' ' ' PHE . 9.3 mt -57.63 -12.59 2.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.45 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -72.4 111.8 7.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 179.897 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 71.7 13.33 74.86 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.498 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.503 HG23 HG13 ' A' ' 74' ' ' VAL . 1.3 t -82.17 154.96 25.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.745 0.307 . . . . 0.0 111.148 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -118.93 95.12 4.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.503 HG13 HG23 ' A' ' 72' ' ' THR . 3.4 m -107.49 143.56 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.517 ' CB ' HD11 ' A' ' 29' ' ' LEU . 5.9 mm-40 56.27 25.04 8.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.5 t 74.16 29.36 1.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.573 HG21 ' O ' ' A' ' 24' ' ' ASP . 89.3 t -138.43 119.88 17.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.085 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -76.38 103.52 6.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.761 HD22 ' SD ' ' A' ' 25' ' ' MET . 26.6 mt -89.36 147.55 24.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 19.3 ttpt -121.84 103.96 9.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.502 HG21 ' HB3' ' A' ' 69' ' ' LEU . 17.7 t -100.54 144.52 12.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -150.15 150.15 31.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.684 HD13 HG21 ' A' ' 66' ' ' VAL . 9.6 mm -70.9 94.75 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.814 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.932 0.396 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.57 ' O ' HD23 ' A' ' 18' ' ' LEU . 9.0 m -87.22 154.19 20.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.173 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.734 HD11 ' CD2' ' A' ' 56' ' ' TYR . 9.7 mt -136.27 126.44 26.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -82.92 106.45 14.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.638 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 22.3 t -105.37 143.93 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.11 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.401 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 7.9 t80 -138.11 119.79 15.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -132.94 -175.68 14.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.55 ' CD ' ' N ' ' A' ' 23' ' ' GLU . 3.2 mp0 -117.56 -69.94 0.82 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 110.891 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -105.71 50.5 0.78 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.408 ' HG2' HD21 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -116.78 151.55 36.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 p -124.46 158.4 61.74 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.606 0.717 . . . . 0.0 111.125 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -47.98 -62.71 0.4 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.667 2.244 . . . . 0.0 112.371 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 74.5 m -42.02 -37.91 1.49 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.146 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.558 HD11 ' CB ' ' A' ' 75' ' ' GLU . 5.6 tt -65.67 -51.29 60.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.7 mt -56.71 -31.61 64.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 52.2 mtt180 -59.38 -42.51 91.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -91.65 -9.22 63.07 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.481 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.32 -33.78 14.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.784 0.326 . . . . 0.0 111.096 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.72 ' CE2' HD12 ' A' ' 69' ' ' LEU . 45.8 m-85 -95.83 -19.6 19.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.58 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -62.03 -46.01 91.64 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.632 0.729 . . . . 0.0 110.831 -179.759 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.58 ' CD ' ' N ' ' A' ' 35' ' ' SER . 65.1 Cg_exo -47.98 -17.71 0.91 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.695 2.263 . . . . 0.0 112.366 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -93.43 -33.47 13.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -177.3 -130.31 1.36 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.46 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -123.6 133.33 53.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.802 0.334 . . . . 0.0 110.935 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.491 HG21 ' HB2' ' A' ' 43' ' ' LEU . 57.6 mt -95.02 110.78 24.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.5 pt -98.11 -18.51 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -148.93 106.9 3.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.701 HD13 HG22 ' A' ' 54' ' ' VAL . 8.3 tp -128.06 106.56 9.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.2 m -117.33 138.0 52.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.807 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 4.7 mmm -121.29 123.08 41.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.536 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 36.7 m-20 -114.04 95.62 38.92 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.586 0.707 . . . . 0.0 110.857 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.586 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 64.8 Cg_exo -47.99 -43.31 30.52 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.694 2.263 . . . . 0.0 112.357 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.5 Cg_exo -47.98 -44.97 26.38 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.344 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 50' ' ' ASN . 37.5 mmt180 -104.52 13.89 30.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 49' ' ' ARG . 24.1 m-80 37.29 41.44 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 29.7 p -134.65 174.23 10.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.807 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -152.63 161.24 42.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.138 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -124.77 102.2 7.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.701 HG22 HD13 ' A' ' 43' ' ' LEU . 60.8 t -98.93 117.08 43.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 40.1 m -100.21 132.39 45.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.734 ' CD2' HD11 ' A' ' 18' ' ' LEU . 15.9 m-85 -99.73 146.51 26.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -59.9 -24.31 64.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.7 mtmm -130.21 156.66 44.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.502 ' SD ' ' N ' ' A' ' 60' ' ' GLU . 4.0 ppp? -67.2 -49.15 65.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.898 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.502 ' N ' ' SD ' ' A' ' 59' ' ' MET . 19.7 pt-20 -35.91 -51.8 0.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.52 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 69.5 m -52.33 -52.25 54.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.704 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -41.14 -64.5 0.54 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.09 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.19 -45.98 79.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.434 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 9.6 mt-30 -51.96 -64.64 0.75 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -47.79 -57.55 5.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.118 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.495 HG21 HG12 ' A' ' 83' ' ' ILE . 9.2 t -54.81 -16.81 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -91.04 -36.31 14.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -97.94 -58.17 2.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.938 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.72 HD12 ' CE2' ' A' ' 34' ' ' PHE . 8.7 mt -54.69 -27.41 40.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -51.69 113.81 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 58.68 33.41 72.41 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.482 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.52 HG23 HG13 ' A' ' 74' ' ' VAL . 2.5 t -91.31 161.58 14.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.746 0.308 . . . . 0.0 111.149 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -120.67 95.76 4.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.933 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.52 HG13 HG23 ' A' ' 72' ' ' THR . 2.8 m -116.99 141.0 37.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.558 ' CB ' HD11 ' A' ' 29' ' ' LEU . 17.7 mm-40 54.57 33.37 18.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m 63.97 29.71 14.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 86.4 t -138.0 125.52 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.135 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -78.3 116.09 18.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.408 HD21 ' HG2' ' A' ' 25' ' ' MET . 52.8 mt -105.72 141.2 37.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -122.5 108.65 13.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.556 HG13 HG22 ' A' ' 20' ' ' VAL . 3.1 t -108.64 139.06 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -145.93 143.34 29.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.495 HG12 HG21 ' A' ' 66' ' ' VAL . 8.3 mm -70.44 98.45 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.793 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.8 p-10 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.927 0.394 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.8 m -87.29 155.26 20.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.827 HD21 ' HA ' ' A' ' 62' ' ' ALA . 9.3 mt -136.27 128.62 30.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -80.65 105.2 11.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.66 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 48.0 t -103.38 137.37 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.121 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 0.6 OUTLIER -142.94 116.24 9.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.898 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -127.07 -145.88 6.34 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -133.66 -72.95 0.49 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.865 0.364 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -103.85 49.61 0.82 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.711 ' SD ' HD22 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -109.93 145.92 36.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.7 p -119.96 155.49 55.26 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.577 0.703 . . . . 0.0 111.16 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -47.97 -45.55 24.58 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.695 2.263 . . . . 0.0 112.317 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.7 m -64.63 -29.9 70.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.46 HD11 ' CB ' ' A' ' 75' ' ' GLU . 6.0 tt -70.79 -50.45 35.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.422 HD21 ' HB2' ' A' ' 25' ' ' MET . 13.2 mt -56.13 -31.51 63.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.415 ' HA ' ' CD1' ' A' ' 40' ' ' ILE . 67.4 mtt-85 -62.9 -37.78 88.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -90.6 -11.72 61.85 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.462 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.67 -30.86 13.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.784 0.326 . . . . 0.0 111.077 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.66 ' CZ ' HG21 ' A' ' 20' ' ' VAL . 29.0 m-85 -95.5 -13.69 24.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.588 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -64.09 -45.98 79.95 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.652 0.739 . . . . 0.0 110.835 -179.782 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 35' ' ' SER . 64.4 Cg_exo -47.94 -24.62 5.37 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.689 2.259 . . . . 0.0 112.361 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.481 ' HE2' HD21 ' A' ' 69' ' ' LEU . 86.9 m-85 -87.28 -37.57 17.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -179.67 -147.45 7.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.458 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -104.76 141.16 36.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 110.875 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.478 HG21 ' HB2' ' A' ' 43' ' ' LEU . 60.8 mt -102.93 115.22 44.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.6 pt -102.03 -24.71 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.151 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -140.99 106.08 4.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.958 HD13 HG22 ' A' ' 54' ' ' VAL . 9.5 tp -130.6 109.28 10.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.2 m -119.89 148.02 44.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.471 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 0.3 OUTLIER -126.11 138.74 53.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.547 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 0.6 OUTLIER -123.83 95.57 44.22 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.662 0.744 . . . . 0.0 110.834 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.592 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 65.1 Cg_exo -47.97 -43.42 30.14 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.667 2.245 . . . . 0.0 112.313 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.592 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 66.6 Cg_exo -47.95 -53.14 7.06 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.74 2.293 . . . . 0.0 112.312 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -100.95 11.57 39.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.939 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.7 m120 41.66 36.4 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 18.2 p -117.53 -177.26 3.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.471 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -161.94 162.64 29.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.092 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -130.86 99.45 4.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.958 HG22 HD13 ' A' ' 43' ' ' LEU . 58.5 t -95.45 127.97 47.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.089 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 93.8 m -108.53 139.88 42.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.535 ' CD2' ' HB3' ' A' ' 61' ' ' SER . 14.0 m-85 -108.57 142.2 39.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -62.85 -22.78 66.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 59' ' ' MET . 49.6 mttt -131.64 109.74 10.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.44 ' HG2' ' N ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -35.18 -37.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.44 ' N ' ' HG2' ' A' ' 59' ' ' MET . 14.4 mt-10 -37.02 -46.53 0.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.535 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 56.6 m -64.6 -46.07 84.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.827 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -35.58 -59.19 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.091 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.5 -45.06 88.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.871 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.452 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 23.0 mt-30 -54.58 -67.13 0.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -46.06 -58.17 3.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.841 HG21 HD13 ' A' ' 83' ' ' ILE . 9.4 t -54.18 -18.27 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.116 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -89.3 -36.72 15.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.065 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -98.01 -58.35 2.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.58 ' HB3' HG21 ' A' ' 81' ' ' VAL . 12.3 mt -55.43 -17.9 5.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.406 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -65.44 116.73 7.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 179.915 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 65.93 17.38 65.27 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.453 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.543 HG23 HG13 ' A' ' 74' ' ' VAL . 1.3 t -84.89 152.31 23.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.696 0.284 . . . . 0.0 111.181 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -115.74 96.33 5.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.543 HG13 HG23 ' A' ' 72' ' ' THR . 3.4 m -110.22 142.62 22.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.139 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.46 ' CB ' HD11 ' A' ' 29' ' ' LEU . 5.4 mm-40 56.1 28.76 13.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.3 m 70.33 25.6 4.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 92.1 t -135.94 121.29 28.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -77.89 111.78 14.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.711 HD22 ' SD ' ' A' ' 25' ' ' MET . 24.0 mt -98.6 146.47 25.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.958 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -119.2 104.87 10.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.58 HG21 ' HB3' ' A' ' 69' ' ' LEU . 4.2 t -101.86 136.69 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -140.99 156.23 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.841 HD13 HG21 ' A' ' 66' ' ' VAL . 11.7 mm -75.47 95.23 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.146 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.118 179.815 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.2 m120 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.909 0.385 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.566 ' O ' HD23 ' A' ' 18' ' ' LEU . 8.7 m -84.44 150.48 25.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.677 HD21 ' HA ' ' A' ' 62' ' ' ALA . 10.3 mt -134.34 125.51 27.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.953 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -81.11 106.16 12.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.595 HG13 HG22 ' A' ' 81' ' ' VAL . 11.4 t -102.0 151.36 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.126 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.475 ' CD1' ' N ' ' A' ' 22' ' ' GLY . 11.0 t80 -133.33 148.05 51.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.475 ' N ' ' CD1' ' A' ' 21' ' ' TYR . . . -169.45 179.72 41.82 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.483 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -133.93 -44.97 0.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.883 0.373 . . . . 0.0 110.899 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -112.99 39.75 2.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.822 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.408 ' CG ' ' HA3' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -117.98 151.21 37.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 p -124.16 159.62 56.08 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.636 0.731 . . . . 0.0 111.116 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -47.95 -65.22 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.665 2.243 . . . . 0.0 112.371 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 95.8 m -48.61 -30.08 4.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.412 ' O ' HD23 ' A' ' 29' ' ' LEU . 5.7 tt -66.05 -48.69 70.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.7 mt -63.77 -31.41 72.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.481 ' HA ' ' CD1' ' A' ' 40' ' ' ILE . 50.7 mtt180 -56.82 -50.79 71.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.836 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.76 -7.24 88.66 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.462 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -97.8 -27.76 14.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.809 0.338 . . . . 0.0 111.089 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.711 ' HB2' HD11 ' A' ' 40' ' ' ILE . 19.1 m-85 -96.91 -15.98 20.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.642 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 7.2 t -61.22 -42.15 84.13 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.687 0.756 . . . . 0.0 110.855 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 35' ' ' SER . 65.3 Cg_exo -48.0 -42.1 32.3 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.647 2.231 . . . . 0.0 112.326 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.539 ' CE2' ' HA ' ' A' ' 65' ' ' ALA . 92.4 m-85 -73.62 -39.42 64.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -178.16 -149.8 8.27 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.541 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -102.03 138.97 38.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.827 0.346 . . . . 0.0 110.887 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.711 HD11 ' HB2' ' A' ' 34' ' ' PHE . 54.7 mt -97.86 116.65 41.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.105 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.4 pt -102.13 -27.39 3.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.082 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -138.63 111.09 7.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.842 HD13 HG22 ' A' ' 54' ' ' VAL . 8.1 tp -135.46 106.5 6.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.2 t -119.5 141.21 49.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.516 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 0.4 OUTLIER -115.64 140.6 49.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.545 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 0.6 OUTLIER -117.33 95.27 47.1 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.611 0.72 . . . . 0.0 110.852 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.586 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 65.9 Cg_exo -47.99 -43.25 30.63 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.688 2.259 . . . . 0.0 112.294 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 63.7 Cg_exo -47.91 -62.89 0.37 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.357 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -95.45 13.32 26.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 42.65 41.93 2.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 56.9 m -112.8 -177.3 3.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.516 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -157.59 156.55 32.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.081 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -129.84 99.66 5.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.842 HG22 HD13 ' A' ' 43' ' ' LEU . 39.0 t -98.5 135.44 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.088 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.1 m -119.14 136.85 53.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.453 ' HH ' ' HD2' ' A' ' 34' ' ' PHE . 23.8 m-85 -104.33 140.76 37.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.936 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -55.32 -34.9 64.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 59' ' ' MET . 21.5 mmtp -120.39 114.16 21.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.474 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 0.0 OUTLIER -36.52 -37.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.848 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 59' ' ' MET . 9.5 mt-10 -34.81 -56.06 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.447 ' HB2' ' CG ' ' A' ' 56' ' ' TYR . 53.5 m -56.81 -46.15 81.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.858 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.677 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -34.36 -60.4 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.096 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -63.99 -44.86 91.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.412 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 24.1 mt-30 -54.76 -67.17 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.539 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -47.25 -59.38 3.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.077 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 1.074 HG21 HD13 ' A' ' 83' ' ' ILE . 15.7 t -50.21 -21.3 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.137 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -89.23 -31.0 18.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.408 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 11.0 mt-10 -98.1 -59.2 1.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.434 ' CD1' ' CZ ' ' A' ' 34' ' ' PHE . 7.8 mt -55.92 -18.88 10.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -61.44 112.26 2.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.843 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 62.0 29.51 72.81 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.449 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.484 HG23 HG13 ' A' ' 74' ' ' VAL . 2.0 t -90.33 160.62 16.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.739 0.304 . . . . 0.0 111.146 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -120.34 96.63 5.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.484 HG13 HG23 ' A' ' 72' ' ' THR . 3.6 m -116.04 138.66 45.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.129 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 56.78 26.51 11.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.6 t 70.49 29.5 3.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.3 t -137.7 115.53 13.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.099 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -70.32 112.67 6.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.0 mt -102.12 140.0 36.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.961 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.51 111.58 16.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.595 HG22 HG13 ' A' ' 20' ' ' VAL . 6.4 t -110.77 147.25 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.091 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -146.5 151.12 36.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 1.074 HD13 HG21 ' A' ' 66' ' ' VAL . 19.4 mm -70.02 94.57 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 83' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.086 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.1 p -41.94 116.89 0.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 0.0 110.801 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.6 m -56.11 -53.89 51.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.3 -165.07 10.63 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.523 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.1 t -60.67 144.5 51.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.851 0.358 . . . . 0.0 110.842 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.1 m -78.73 91.08 4.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.86 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.94 -154.61 19.21 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.477 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -126.33 172.65 9.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.809 0.338 . . . . 0.0 110.926 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 -78.5 100.48 6.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.48 144.13 37.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -161.58 148.3 11.4 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.534 0.683 . . . . 0.0 111.121 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -177.9 2.08 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.744 2.296 . . . . 0.0 112.345 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -135.3 111.26 9.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.1 pttp -171.47 141.52 1.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 137.34 155.22 6.87 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.465 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -110.47 -48.41 3.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.947 0.403 . . . . 0.0 110.926 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.4 m -84.81 156.12 21.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.162 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.78 HD21 ' HA ' ' A' ' 62' ' ' ALA . 6.7 mt -136.81 129.95 31.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -84.79 110.21 18.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.671 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 36.8 t -109.09 144.82 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -136.79 131.1 32.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.441 ' HA3' ' CG ' ' A' ' 25' ' ' MET . . . -142.74 -171.13 13.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.508 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -131.02 -49.33 1.02 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.814 0.34 . . . . 0.0 110.836 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -120.6 40.7 3.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.441 ' CG ' ' HA3' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -110.01 148.76 31.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.8 p -119.52 155.01 54.65 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.569 0.699 . . . . 0.0 111.178 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -47.92 -56.4 3.13 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.707 2.271 . . . . 0.0 112.327 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.7 m -52.55 -29.52 25.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.425 HD11 ' CB ' ' A' ' 75' ' ' GLU . 5.4 tt -69.07 -50.75 45.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.9 mt -59.35 -29.35 67.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.485 ' HG2' HD23 ' A' ' 43' ' ' LEU . 27.4 mtp180 -57.26 -47.65 80.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -87.46 -7.09 76.55 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.451 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.29 -34.19 14.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.852 0.358 . . . . 0.0 111.097 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.671 ' CZ ' HG21 ' A' ' 20' ' ' VAL . 29.9 m-85 -96.61 -20.03 18.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.852 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.583 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -58.89 -45.99 99.57 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.67 0.748 . . . . 0.0 110.861 -179.766 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.583 ' CD ' ' N ' ' A' ' 35' ' ' SER . 66.8 Cg_exo -48.08 -32.74 19.28 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.673 2.249 . . . . 0.0 112.31 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.521 ' CE1' ' HG ' ' A' ' 69' ' ' LEU . 87.7 m-85 -79.25 -38.65 35.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.07 -150.88 7.89 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.518 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -104.01 129.72 51.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.82 0.343 . . . . 0.0 110.87 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.474 HD11 ' HB2' ' A' ' 34' ' ' PHE . 58.7 mt -90.98 114.19 27.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.157 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 12.6 pt -101.11 -22.47 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -143.56 106.37 4.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.836 HD13 HG22 ' A' ' 54' ' ' VAL . 7.6 tp -130.27 111.54 12.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 m -126.44 144.9 50.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.766 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 1.2 mmt -121.13 141.57 50.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.55 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 47.4 m-20 -125.06 95.6 41.54 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.593 0.711 . . . . 0.0 110.845 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.588 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 64.2 Cg_exo -47.96 -43.38 30.19 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.696 2.264 . . . . 0.0 112.348 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 63.8 Cg_exo -47.91 -64.38 0.24 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.715 2.276 . . . . 0.0 112.369 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -87.78 1.19 54.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.6 m120 50.35 51.08 17.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 9.0 p -128.24 174.75 9.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.766 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -151.73 135.95 16.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.079 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -108.0 102.8 11.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.836 HG22 HD13 ' A' ' 43' ' ' LEU . 61.0 t -103.54 121.85 55.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 60.7 m -105.3 136.87 44.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.168 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.647 ' CD2' HD11 ' A' ' 18' ' ' LEU . 16.2 m-85 -103.01 144.16 31.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.917 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -57.4 -22.48 43.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm -128.3 162.61 26.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 13.7 ptp -83.3 -26.09 30.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.903 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -57.56 -36.72 72.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.44 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 32.9 m -70.36 -43.82 69.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.833 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.78 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -40.98 -54.45 2.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.086 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -67.24 -39.42 86.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.4 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 28.0 mt-30 -54.87 -66.49 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -47.42 -54.33 11.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.075 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 1.021 HG21 HD13 ' A' ' 83' ' ' ILE . 12.1 t -55.06 -18.78 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.105 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -90.29 -39.25 12.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -97.81 -58.94 1.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.521 ' HG ' ' CE1' ' A' ' 37' ' ' PHE . 10.0 mt -55.73 -14.9 2.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.44 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 1.2 t30 -70.47 114.67 8.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 66.97 19.94 70.27 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.489 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.616 HG23 HG13 ' A' ' 74' ' ' VAL . 2.7 t -87.33 147.66 25.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.707 0.289 . . . . 0.0 111.176 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -107.38 95.07 5.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.616 HG13 HG23 ' A' ' 72' ' ' THR . 3.4 m -109.4 140.5 27.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.425 ' CB ' HD11 ' A' ' 29' ' ' LEU . 19.8 mm-40 54.79 36.46 26.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 66.4 m 62.73 27.69 16.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.842 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 23.0 t -138.01 123.72 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.138 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -75.54 113.09 12.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 15.0 mt -100.33 132.31 45.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -111.4 104.32 12.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.514 HG21 ' HB3' ' A' ' 69' ' ' LEU . 15.9 t -102.81 147.13 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -150.77 159.08 44.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 1.021 HD13 HG21 ' A' ' 66' ' ' VAL . 12.9 mm -76.88 95.08 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.082 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -37.82 140.22 0.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -96.44 144.86 26.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 36.4 tttm 73.18 46.5 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -116.61 78.91 9.09 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.584 0.707 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 179.03 4.03 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.692 2.262 . . . . 0.0 112.326 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.1 ptm -55.28 112.15 1.03 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.469 HD23 ' N ' ' A' ' 91' ' ' ASP . 1.9 tt -115.61 143.78 44.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.469 ' N ' HD23 ' A' ' 90' ' ' LEU . 2.1 m-20 -50.46 148.89 3.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.7 t -102.58 -36.8 8.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -116.99 81.23 0.31 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.523 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.67 119.9 6.78 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.717 2.278 . . . . 0.0 112.332 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.9 t -92.1 -51.44 5.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 83.5 p -83.69 39.8 0.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.527 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m 47.81 43.93 17.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.847 0.356 . . . . 0.0 110.817 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.7 p -101.26 43.06 1.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.09 -172.4 13.21 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.487 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.9 p -106.22 127.35 53.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.832 0.349 . . . . 0.0 110.889 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 t -110.96 42.71 1.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.91 164.84 26.82 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 58.97 42.6 19.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 0.0 110.888 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 52.4 mmm-85 -50.02 -51.83 39.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -63.83 162.91 12.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -112.77 142.17 26.72 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.565 0.698 . . . . 0.0 111.136 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 0.49 5.59 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.631 2.221 . . . . 0.0 112.366 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.469 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -58.05 152.14 17.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.469 ' N ' ' HD3' ' A' ' 13' ' ' ARG . 32.7 mttt -33.79 -68.94 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 69.31 101.54 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.463 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.473 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 1.1 p-10 -116.71 -34.77 4.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.924 0.392 . . . . 0.0 110.922 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.414 ' O ' HD23 ' A' ' 18' ' ' LEU . 4.5 m -86.82 156.12 20.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.133 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.822 HD21 ' HA ' ' A' ' 62' ' ' ALA . 8.4 mt -134.78 128.71 33.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -84.24 110.3 18.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.95 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.642 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 22.4 t -107.7 146.1 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.153 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -134.26 134.21 41.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.407 ' HA3' ' CG ' ' A' ' 25' ' ' MET . . . -148.15 -175.14 20.55 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.5 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -132.81 -45.37 0.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.838 0.351 . . . . 0.0 110.91 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -122.17 42.4 3.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.407 ' CG ' ' HA3' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -113.63 154.35 27.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.9 p -125.84 155.45 72.81 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.553 0.692 . . . . 0.0 111.16 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -47.95 -63.93 0.28 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.708 2.272 . . . . 0.0 112.357 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.2 m -46.27 -30.96 2.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.554 HD21 ' HG3' ' A' ' 75' ' ' GLU . 5.9 tt -68.7 -48.11 64.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.946 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.8 mt -61.82 -30.01 70.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.7 mtp85 -58.05 -44.06 87.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -90.15 -4.52 71.48 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.462 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -97.32 -32.14 12.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.846 0.355 . . . . 0.0 111.076 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.642 ' CZ ' HG21 ' A' ' 20' ' ' VAL . 36.2 m-85 -96.57 -23.29 16.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.873 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.579 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -56.88 -46.05 99.9 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.687 0.756 . . . . 0.0 110.826 -179.797 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 35' ' ' SER . 65.2 Cg_exo -47.92 -21.84 2.93 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.725 2.283 . . . . 0.0 112.349 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -92.73 -38.13 11.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.24 -152.91 9.11 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.48 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -104.24 127.55 51.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.819 0.342 . . . . 0.0 110.898 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.508 HG21 ' HB2' ' A' ' 43' ' ' LEU . 46.6 mt -89.02 112.07 23.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.1 pt -97.19 -22.87 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.13 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -144.92 107.98 4.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.763 HD13 HG22 ' A' ' 54' ' ' VAL . 6.8 tp -128.43 111.13 12.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 59.1 p -123.23 137.46 54.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.852 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.83 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 1.9 mmm -118.91 134.04 55.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.543 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 4.0 m-20 -118.0 95.58 48.4 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.579 0.704 . . . . 0.0 110.879 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.594 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 66.0 Cg_exo -47.98 -43.36 30.34 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.688 2.259 . . . . 0.0 112.364 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.4 Cg_exo -47.96 -63.77 0.29 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.704 2.269 . . . . 0.0 112.402 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.2 mmp_? -86.51 -1.99 58.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.6 m120 55.54 36.89 28.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.3 p -112.72 179.17 4.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.83 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -160.35 134.61 7.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.044 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -108.65 106.09 16.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.763 HG22 HD13 ' A' ' 43' ' ' LEU . 59.6 t -105.58 122.27 58.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.116 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 34.8 m -105.69 132.71 51.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.588 ' CD2' HD11 ' A' ' 18' ' ' LEU . 12.5 m-85 -99.37 147.0 25.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -58.58 -23.97 59.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.0 mmtt -128.56 168.8 15.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.9 ptm -81.6 -44.82 16.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.883 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -39.47 -47.16 1.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.437 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 37.9 m -57.17 -50.04 74.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.822 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -38.72 -60.86 0.78 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.14 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.36 -42.51 98.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.489 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 25.8 mt-30 -53.52 -66.04 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -49.23 -62.02 1.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.675 HG22 HG12 ' A' ' 81' ' ' VAL . 13.9 t -48.83 -20.92 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -85.42 -35.0 21.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.105 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -98.08 -57.63 2.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.638 HD12 ' CE2' ' A' ' 34' ' ' PHE . 10.1 mt -54.66 -16.61 2.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -63.93 112.69 3.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 64.6 17.54 62.53 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.45 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.625 HG23 HG13 ' A' ' 74' ' ' VAL . 1.3 t -80.99 150.19 29.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.733 0.301 . . . . 0.0 111.138 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -111.82 97.28 6.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.625 HG13 HG23 ' A' ' 72' ' ' THR . 3.3 m -114.61 141.69 30.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.554 ' HG3' HD21 ' A' ' 29' ' ' LEU . 5.8 mm-40 55.17 31.07 15.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.3 m 67.03 26.94 8.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.824 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 19.8 t -136.31 123.86 33.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.152 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -75.99 110.42 10.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.3 mt -98.6 137.06 37.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.3 mtmt -118.78 109.51 16.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.675 HG12 HG22 ' A' ' 66' ' ' VAL . 5.0 t -106.3 149.22 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -152.82 146.18 24.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.431 HG12 HG11 ' A' ' 66' ' ' VAL . 7.2 mm -69.79 100.45 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.51 ' HB3' ' OE1' ' A' ' 87' ' ' GLN . . . -44.86 113.76 0.61 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -77.12 149.49 35.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.0 mttp 57.47 48.87 13.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.51 ' OE1' ' HB3' ' A' ' 84' ' ' ALA . 16.6 pt20 -107.54 82.08 1.23 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.611 0.719 . . . . 0.0 110.907 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 178.03 4.96 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.72 2.28 . . . . 0.0 112.368 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 23.6 mtt -46.6 101.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.8 tt -73.42 -51.4 17.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -75.83 120.73 21.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.814 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 85.5 p -165.59 168.65 16.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 172.59 153.75 9.65 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -38.18 8.11 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.75 2.3 . . . . 0.0 112.342 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.2 t -111.39 124.06 51.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 61.8 m -93.88 117.84 30.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.914 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.481 -179.923 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.456 -0.257 . . . . 0.0 112.456 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 1' ' ' GLY . 58.7 m -36.15 117.37 0.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.878 0.37 . . . . 0.0 110.85 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -149.98 172.03 15.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.826 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.68 134.76 11.81 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.522 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.9 p -146.08 163.81 34.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.872 0.367 . . . . 0.0 110.88 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.0 p -131.38 164.59 25.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.854 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.8 -77.96 0.31 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.45 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -72.2 120.06 17.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.882 0.372 . . . . 0.0 110.862 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -96.14 82.12 3.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.64 160.82 29.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.79 151.26 8.5 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.547 0.689 . . . . 0.0 111.145 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 143.25 50.09 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.694 2.262 . . . . 0.0 112.314 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -44.69 166.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -56.5 137.72 52.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -150.8 108.65 0.39 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.468 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -110.23 -50.59 2.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.896 0.379 . . . . 0.0 110.894 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.4 m -84.59 153.54 23.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.152 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.798 HD21 ' HA ' ' A' ' 62' ' ' ALA . 4.9 mt -134.9 134.22 40.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -85.04 109.49 18.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.553 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 18.5 t -105.51 146.56 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.114 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -139.19 130.23 26.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.932 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.441 ' HA3' ' CG ' ' A' ' 25' ' ' MET . . . -143.27 -177.46 18.25 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.496 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -125.2 -51.59 1.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.842 0.353 . . . . 0.0 110.884 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.437 ' O ' HG21 ' A' ' 77' ' ' VAL . 11.1 m-20 -117.96 45.25 2.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.441 ' CG ' ' HA3' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -115.36 160.09 20.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.7 p -130.48 155.74 80.64 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.603 0.716 . . . . 0.0 111.173 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_exo -47.87 -59.19 1.34 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.386 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 99.5 m -49.18 -33.59 12.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.455 ' O ' HD23 ' A' ' 29' ' ' LEU . 5.3 tt -66.02 -47.56 74.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.939 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.7 mt -61.82 -28.75 69.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -60.31 -44.01 95.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -90.29 -9.85 64.7 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.505 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.36 -33.86 15.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.805 0.336 . . . . 0.0 111.115 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.559 ' CE2' HD12 ' A' ' 69' ' ' LEU . 35.3 m-85 -95.4 -17.8 21.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.575 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -62.88 -46.16 87.58 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.687 0.756 . . . . 0.0 110.839 -179.797 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' ' 35' ' ' SER . 65.4 Cg_exo -48.02 -19.8 1.78 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.673 2.249 . . . . 0.0 112.316 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -89.82 -38.82 13.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -172.98 -127.77 1.0 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.491 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -125.02 136.01 53.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.799 0.333 . . . . 0.0 110.893 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.586 HG21 ' HB2' ' A' ' 43' ' ' LEU . 37.4 mt -98.58 104.92 16.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.102 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.1 pt -91.73 -18.57 7.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -150.49 107.78 3.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.825 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.86 HD13 HG22 ' A' ' 54' ' ' VAL . 10.8 tp -130.38 112.98 13.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.2 m -125.73 145.57 50.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.937 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 2.3 mmm -122.19 146.25 47.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.549 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 0.6 OUTLIER -128.98 95.66 31.0 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.566 0.698 . . . . 0.0 110.844 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.59 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 65.0 Cg_exo -48.05 -43.29 30.89 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.327 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.7 Cg_exo -48.03 -59.73 1.14 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.697 2.265 . . . . 0.0 112.339 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -91.9 3.6 54.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 48.87 41.09 17.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 25.7 p -117.94 175.88 5.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.937 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -153.57 135.93 14.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.097 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -108.77 106.35 16.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.86 HG22 HD13 ' A' ' 43' ' ' LEU . 49.2 t -105.11 122.03 57.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.115 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.5 m -106.1 129.65 54.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.175 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.552 ' CE2' HD11 ' A' ' 18' ' ' LEU . 21.0 m-85 -97.73 142.63 29.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -54.15 -26.71 29.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.865 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.429 ' NZ ' ' HA ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -127.07 168.14 15.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.3 ptp -82.65 -39.86 21.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -42.16 -42.21 2.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.519 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 21.6 m -63.95 -47.84 78.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.808 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.798 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -40.51 -58.86 1.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.073 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -62.77 -39.4 94.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.831 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.408 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 12.6 mt-30 -58.35 -67.4 0.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -45.7 -57.36 4.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.053 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.713 HG21 HD13 ' A' ' 83' ' ' ILE . 14.0 t -56.62 -18.02 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.118 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -90.1 -35.78 15.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -98.03 -58.36 2.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.559 HD12 ' CE2' ' A' ' 34' ' ' PHE . 9.4 mt -53.43 -38.26 63.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -39.74 116.73 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 55.93 35.74 64.61 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.455 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.448 HG22 ' O ' ' A' ' 69' ' ' LEU . 6.7 t -90.59 167.18 12.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.749 0.309 . . . . 0.0 111.123 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -127.47 95.99 4.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.4 m -118.13 143.15 29.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.446 ' CB ' HD11 ' A' ' 29' ' ' LEU . 46.8 mm-40 54.21 29.28 10.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.1 m 67.56 29.27 7.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.437 HG21 ' O ' ' A' ' 24' ' ' ASP . 43.7 t -137.49 120.73 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -71.74 112.54 7.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.5 mt -99.45 138.48 36.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.972 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.93 109.51 15.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.52 HG12 HG22 ' A' ' 66' ' ' VAL . 13.9 t -108.18 145.79 14.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -145.31 158.16 43.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.713 HD13 HG21 ' A' ' 66' ' ' VAL . 8.6 mm -77.18 97.24 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -48.54 122.34 5.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -69.31 -39.59 78.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -74.34 88.6 2.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -125.25 77.11 68.08 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.606 0.717 . . . . 0.0 110.938 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -178.54 2.39 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.664 2.243 . . . . 0.0 112.364 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 13.3 ptm -62.74 99.32 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.89 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.1 mt -132.23 139.05 48.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.937 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -131.65 176.61 8.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.873 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 89.4 p -137.0 131.56 33.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -93.29 146.59 18.19 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.506 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -0.68 7.27 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.692 2.262 . . . . 0.0 112.339 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 96' ' ' SER . 3.2 t -50.45 121.77 6.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.845 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 95' ' ' SER . 18.7 m -38.42 -56.33 1.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.535 179.986 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.3 t -106.02 118.54 36.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.85 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 5' ' ' SER . 77.3 p -66.63 -28.19 68.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 54.11 -84.0 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.553 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.477 ' N ' ' O ' ' A' ' 3' ' ' SER . 4.9 t -53.93 125.32 18.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.83 0.348 . . . . 0.0 110.871 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.1 p -75.18 124.44 27.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.815 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.08 -41.73 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.455 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -86.75 54.68 3.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.858 0.361 . . . . 0.0 110.864 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -116.11 35.84 4.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.9 tpp85 -53.72 138.15 35.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.703 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -85.09 164.2 42.44 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.556 0.693 . . . . 0.0 111.101 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.703 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 53.9 Cg_endo -69.79 159.07 54.73 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.716 2.277 . . . . 0.0 112.307 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? -111.63 132.22 54.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -42.7 133.31 3.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -130.77 156.65 21.79 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.504 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.8 t30 -115.34 -39.16 3.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.887 0.375 . . . . 0.0 110.86 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.721 ' O ' HD23 ' A' ' 18' ' ' LEU . 1.4 m -85.28 156.22 21.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.733 HD21 ' HA ' ' A' ' 62' ' ' ALA . 10.8 mt -136.74 126.02 24.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.942 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -80.03 105.48 11.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.449 HG13 HG22 ' A' ' 81' ' ' VAL . 5.1 t -95.99 140.5 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.101 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -132.99 116.81 16.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.948 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -139.22 178.23 19.7 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.468 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.538 ' CD ' ' N ' ' A' ' 23' ' ' GLU . 2.7 mp0 -117.98 -70.5 0.79 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.889 0.376 . . . . 0.0 110.86 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -101.86 53.23 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.587 ' HG2' HD21 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -123.79 150.28 44.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.4 p -122.41 158.6 55.57 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.557 0.694 . . . . 0.0 111.123 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -47.99 -55.57 3.89 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.686 2.257 . . . . 0.0 112.321 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.8 m -47.34 -37.15 10.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.47 HD11 ' CB ' ' A' ' 75' ' ' GLU . 5.6 tt -66.24 -52.91 43.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.1 mt -58.11 -28.95 65.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.442 ' HA ' ' CD1' ' A' ' 40' ' ' ILE . 65.2 mtp85 -60.15 -46.68 88.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -87.66 -5.48 78.26 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.513 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.51 -31.71 12.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.357 . . . . 0.0 111.123 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.594 ' CE2' HD12 ' A' ' 69' ' ' LEU . 33.8 m-85 -96.19 -26.17 15.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.579 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -53.84 -46.23 98.56 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.707 0.765 . . . . 0.0 110.887 -179.787 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 35' ' ' SER . 64.8 Cg_exo -47.97 -32.17 17.41 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.682 2.254 . . . . 0.0 112.341 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -82.36 -38.45 24.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.48 -162.08 22.17 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.474 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -96.02 120.74 36.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.828 0.346 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.442 ' CD1' ' HA ' ' A' ' 31' ' ' ARG . 56.7 mt -81.47 109.44 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.7 pt -99.41 -30.12 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -136.52 107.13 6.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.726 HD13 HG22 ' A' ' 54' ' ' VAL . 6.7 tp -127.66 110.25 12.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 m -117.45 137.4 52.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.822 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.849 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 7.8 mmm -125.29 130.37 51.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.541 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 16.9 t70 -123.35 95.56 45.27 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.567 0.699 . . . . 0.0 110.793 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.584 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 66.1 Cg_exo -48.02 -43.31 30.67 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.67 2.247 . . . . 0.0 112.362 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.1 Cg_exo -47.92 -64.54 0.23 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.673 2.248 . . . . 0.0 112.343 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.62 -1.54 31.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 m120 52.75 44.22 30.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.7 p -144.86 175.51 10.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.849 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -152.94 171.12 18.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.073 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -134.4 100.9 4.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.868 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.726 HG22 HD13 ' A' ' 43' ' ' LEU . 63.6 t -95.37 126.18 47.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 59.3 m -107.25 144.36 34.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.532 ' CE2' HD11 ' A' ' 18' ' ' LEU . 13.8 m-85 -113.5 142.36 46.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.92 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 63.4 tt0 -55.17 -21.48 13.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -131.73 152.2 51.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -73.62 -23.36 59.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -58.77 -42.09 88.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.475 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 23.5 m -64.78 -34.41 78.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.733 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -49.14 -59.48 3.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.129 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -64.12 -34.87 79.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.471 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 22.2 mt-30 -60.6 -68.12 0.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -48.11 -54.82 11.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.768 HG21 HD13 ' A' ' 83' ' ' ILE . 5.5 t -54.81 -15.64 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -90.86 -35.78 14.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -98.0 -58.98 1.85 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.594 HD12 ' CE2' ' A' ' 34' ' ' PHE . 9.4 mt -54.65 -22.96 15.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.934 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.03 114.04 2.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 65.69 14.99 61.36 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.481 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.445 HG23 HG13 ' A' ' 74' ' ' VAL . 1.5 t -77.24 160.98 28.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.759 0.314 . . . . 0.0 111.094 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -124.43 94.99 4.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.445 HG13 HG23 ' A' ' 72' ' ' THR . 3.1 m -112.41 141.74 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.47 ' CB ' HD11 ' A' ' 29' ' ' LEU . 5.6 mm-40 55.08 32.08 17.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 48.7 m 64.46 30.27 13.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.865 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 94.9 t -137.29 111.86 9.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.161 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -67.88 110.1 3.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.587 HD21 ' HG2' ' A' ' 25' ' ' MET . 38.5 mt -100.56 140.84 34.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -121.15 106.27 11.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.449 HG22 HG13 ' A' ' 20' ' ' VAL . 6.0 t -106.92 137.86 35.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -140.99 155.76 46.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.768 HD13 HG21 ' A' ' 66' ' ' VAL . 17.5 mm -69.35 95.14 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.115 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -39.73 101.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -64.73 -7.49 11.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.7 ptmt -115.85 86.79 2.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -116.39 78.88 8.62 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.617 0.722 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 89' ' ' MET . 53.5 Cg_endo -69.77 -177.22 1.78 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.702 2.268 . . . . 0.0 112.311 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.408 ' C ' ' O ' ' A' ' 88' ' ' PRO . 36.6 mtm -37.77 100.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.5 tt -84.46 103.15 13.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -76.2 108.7 9.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 89.4 p -109.64 -45.31 3.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.827 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 160.21 148.59 5.3 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.514 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -13.03 34.0 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.679 2.253 . . . . 0.0 112.33 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 70.9 p -45.76 100.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 18.0 t -146.43 158.15 43.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.506 179.983 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.6 m -101.61 101.11 11.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.87 0.367 . . . . 0.0 110.872 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -117.25 148.84 41.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.28 -166.55 29.38 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.509 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 t -173.01 176.28 3.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.902 0.382 . . . . 0.0 110.823 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.4 m -67.22 110.46 3.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.886 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.52 143.25 13.49 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.493 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -111.67 29.67 7.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.876 0.369 . . . . 0.0 110.875 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.6 mtm-85 -73.22 121.94 21.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -42.47 112.42 0.35 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -87.03 150.67 50.38 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.528 0.68 . . . . 0.0 111.12 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 125.33 12.02 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.642 2.228 . . . . 0.0 112.375 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -92.19 159.22 15.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.02 51.75 8.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.426 ' O ' ' CB ' ' A' ' 62' ' ' ALA . . . -68.95 -175.6 11.25 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -105.33 -39.24 6.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.904 0.383 . . . . 0.0 110.916 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.403 HG23 ' OG1' ' A' ' 55' ' ' THR . 0.9 OUTLIER -85.14 147.36 26.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.868 HD21 ' HA ' ' A' ' 62' ' ' ALA . 7.4 mt -129.42 127.88 41.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -80.08 112.54 17.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.569 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 21.8 t -108.28 142.2 21.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.091 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -138.95 122.5 17.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -137.47 -176.74 14.6 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.544 ' CD ' ' N ' ' A' ' 23' ' ' GLU . 2.8 mp0 -117.02 -66.2 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.869 0.366 . . . . 0.0 110.871 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -107.51 51.12 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.552 ' HB3' HG11 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -117.62 151.77 36.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.9 p -121.43 155.54 59.0 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.604 0.716 . . . . 0.0 111.125 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.489 ' N ' ' HE2' ' A' ' 45' ' ' MET . 65.6 Cg_exo -48.03 -58.3 1.83 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.715 2.276 . . . . 0.0 112.328 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.2 m -50.25 -32.04 15.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.171 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.415 ' HG ' ' CD ' ' A' ' 75' ' ' GLU . 5.5 tt -66.19 -50.99 61.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.953 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.3 mt -59.0 -31.32 68.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.1 mtm180 -55.84 -44.2 77.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.842 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -89.78 -9.46 66.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.533 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.45 -33.85 16.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.801 0.334 . . . . 0.0 111.096 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.569 ' CZ ' HG21 ' A' ' 20' ' ' VAL . 19.4 m-85 -95.94 -24.59 16.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.573 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -55.88 -46.21 99.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.688 0.756 . . . . 0.0 110.829 -179.765 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.573 ' CD ' ' N ' ' A' ' 35' ' ' SER . 64.8 Cg_exo -47.96 -27.28 8.56 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.662 2.241 . . . . 0.0 112.342 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.564 ' HE1' HD21 ' A' ' 69' ' ' LEU . 76.8 m-85 -82.2 -35.35 28.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -175.24 -122.02 0.67 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.481 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -132.53 131.08 41.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.785 0.326 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.558 HD11 ' HB2' ' A' ' 34' ' ' PHE . 49.6 mt -92.53 115.1 30.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.3 pt -98.12 -28.9 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.166 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -139.34 107.7 5.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.638 HD13 HG22 ' A' ' 54' ' ' VAL . 5.7 tp -127.92 112.73 15.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.2 p -126.92 133.51 50.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.799 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 1.3 mmt -112.72 133.47 54.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.551 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 61.4 m-20 -115.37 95.61 43.35 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.631 0.729 . . . . 0.0 110.874 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.59 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 64.1 Cg_exo -47.96 -43.34 30.27 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.656 2.237 . . . . 0.0 112.358 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.2 Cg_exo -47.97 -64.8 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.658 2.239 . . . . 0.0 112.372 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 50' ' ' ASN . 7.7 mmm180 -87.36 17.9 4.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.913 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 49' ' ' ARG . 78.4 m-20 36.29 41.54 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 18.0 p -126.76 -178.59 4.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.799 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -157.2 167.09 31.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.115 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -134.62 103.78 5.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.638 HG22 HD13 ' A' ' 43' ' ' LEU . 47.9 t -101.09 125.62 55.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.403 ' OG1' HG23 ' A' ' 17' ' ' THR . 14.6 m -111.46 129.78 55.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.705 ' CD2' HD11 ' A' ' 18' ' ' LEU . 21.8 m-85 -96.65 149.28 21.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -67.31 -32.69 73.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -115.5 110.86 19.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.448 ' O ' ' N ' ' A' ' 62' ' ' ALA . 19.0 ptp -34.75 -48.17 0.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 59' ' ' MET . 12.2 pt-20 -35.22 -51.94 0.58 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.451 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 27.4 m -53.05 -44.61 67.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.839 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.868 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -36.93 -64.48 0.35 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.056 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.3 -44.35 95.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -48.65 -61.74 1.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -52.44 -63.25 1.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.545 HG22 HG12 ' A' ' 81' ' ' VAL . 11.9 t -51.82 -19.21 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.06 -38.58 16.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -98.04 -57.01 2.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.564 HD21 ' HE1' ' A' ' 37' ' ' PHE . 9.3 mt -53.07 -39.64 63.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 69' ' ' LEU . 1.1 t30 -37.38 116.54 0.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 53.87 41.14 66.66 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.489 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.486 HG23 HG13 ' A' ' 74' ' ' VAL . 7.2 t -96.41 156.43 16.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.766 0.317 . . . . 0.0 111.149 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -113.12 95.15 5.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.486 HG13 HG23 ' A' ' 72' ' ' THR . 2.0 m -118.01 139.48 45.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.415 ' CD ' ' HG ' ' A' ' 29' ' ' LEU . 13.2 mt-10 52.09 34.26 13.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 32.7 m 62.43 32.17 16.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.825 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.552 HG11 ' HB3' ' A' ' 25' ' ' MET . 50.9 t -138.53 115.5 11.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.143 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -70.33 108.92 4.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 15.5 mt -96.37 141.37 29.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -121.53 107.89 12.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.545 HG12 HG22 ' A' ' 66' ' ' VAL . 3.5 t -106.27 144.15 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -151.84 138.78 19.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.446 HG12 HG11 ' A' ' 66' ' ' VAL . 16.7 mm -65.8 97.83 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -38.63 158.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.111 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.5 tpp180 -114.06 -41.41 3.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.7 ttpp -93.49 47.74 1.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -113.36 79.05 3.71 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.547 0.689 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 178.41 4.6 Favored 'Trans proline' 0 N--CA 1.466 -0.133 0 C-N-CA 122.707 2.271 . . . . 0.0 112.337 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -48.22 107.35 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.9 tt -107.59 93.77 4.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -156.67 131.77 9.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.4 t -123.86 167.12 14.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 112.65 -174.38 16.0 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.482 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 98.84 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.651 2.234 . . . . 0.0 112.358 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.8 m 49.23 46.44 22.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 88.8 p -61.72 -41.74 98.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.459 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -158.22 138.22 12.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 0.0 110.863 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.8 m -127.53 119.29 25.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.14 -129.01 8.99 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.467 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.5 p -97.13 155.86 16.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.931 0.396 . . . . 0.0 110.855 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.4 p -127.02 100.53 6.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 47.74 83.56 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.514 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -75.03 106.42 6.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.809 0.337 . . . . 0.0 110.884 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.7 ptp85 -79.33 125.21 29.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.98 173.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -153.8 148.1 19.18 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.611 0.72 . . . . 0.0 111.097 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 144.94 55.45 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.681 2.254 . . . . 0.0 112.306 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.431 ' C ' ' NE ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -116.19 75.85 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.7 pttp -164.53 133.67 3.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 161.31 163.25 13.92 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 56' ' ' TYR . 3.9 t-20 -120.76 -38.9 2.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.939 0.399 . . . . 0.0 110.888 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.784 ' O ' HD23 ' A' ' 18' ' ' LEU . 2.0 m -86.28 156.18 20.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.839 HD21 ' HA ' ' A' ' 62' ' ' ALA . 10.7 mt -140.28 124.89 18.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -82.07 104.44 12.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.571 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 38.3 t -97.05 149.39 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.173 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -140.78 131.62 25.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.922 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.447 ' HA3' ' CG ' ' A' ' 25' ' ' MET . . . -147.78 -177.14 21.94 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.471 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -127.46 -49.2 1.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.803 0.335 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -118.55 43.82 2.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.447 ' CG ' ' HA3' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -115.51 154.16 29.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.6 p -125.82 156.79 70.76 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.586 0.708 . . . . 0.0 111.131 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.446 ' N ' ' HE2' ' A' ' 45' ' ' MET . 64.4 Cg_exo -47.97 -60.11 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.683 2.255 . . . . 0.0 112.386 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.4 m -48.67 -30.65 5.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.167 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.596 HD21 ' HG3' ' A' ' 75' ' ' GLU . 6.0 tt -69.64 -53.0 20.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.1 mt -58.62 -27.3 64.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.914 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.431 ' NH1' ' HB3' ' A' ' 31' ' ' ARG . 7.8 mtp-105 -62.48 -44.97 95.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -87.32 -7.15 76.94 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.481 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.411 ' C ' ' HD2' ' A' ' 36' ' ' PRO . . . -96.3 -35.44 11.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.832 0.349 . . . . 0.0 111.112 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.571 ' CZ ' HG21 ' A' ' 20' ' ' VAL . 29.9 m-85 -92.23 -20.26 21.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.847 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.579 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -60.08 -46.09 97.97 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.649 0.737 . . . . 0.0 110.832 -179.776 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 35' ' ' SER . 63.9 Cg_exo -47.96 -25.26 6.09 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.633 2.222 . . . . 0.0 112.376 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.505 ' HE1' HD21 ' A' ' 69' ' ' LEU . 82.8 m-85 -87.01 -28.4 22.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 177.77 -137.44 3.4 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -119.21 127.82 53.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.758 0.314 . . . . 0.0 110.896 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.458 HG21 ' HB2' ' A' ' 43' ' ' LEU . 38.4 mt -89.99 106.86 17.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.8 pt -93.93 -22.32 5.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -145.5 111.64 5.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 1.017 HD13 HG22 ' A' ' 54' ' ' VAL . 20.4 tp -135.3 109.17 8.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.3 m -117.08 134.2 55.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.716 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 2.3 mmm -116.6 129.22 56.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.541 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 1.6 m-20 -120.66 95.65 48.95 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.637 0.732 . . . . 0.0 110.857 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.582 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 65.1 Cg_exo -47.98 -43.28 30.55 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.701 2.267 . . . . 0.0 112.348 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.6 Cg_exo -48.04 -51.51 9.84 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.68 2.253 . . . . 0.0 112.335 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 66.3 mmt-85 -96.41 12.73 30.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 38.98 36.82 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 26.3 p -132.56 171.51 13.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.716 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -150.42 165.38 33.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -127.94 102.09 6.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 1.017 HG22 HD13 ' A' ' 43' ' ' LEU . 65.6 t -98.33 123.51 50.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.158 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.9 m -107.63 135.96 48.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.519 ' CE2' HD11 ' A' ' 18' ' ' LEU . 15.0 m-85 -103.79 142.48 34.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -52.9 -35.62 58.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.3 167.37 10.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 9.8 ptp -83.48 -35.35 24.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -47.46 -50.9 21.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.505 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 67.2 m -51.35 -49.88 60.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.839 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -37.95 -58.95 0.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.099 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.05 -37.93 89.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.448 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 24.7 mt-30 -57.79 -66.9 0.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -47.28 -55.98 7.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.912 HG21 HD13 ' A' ' 83' ' ' ILE . 13.7 t -53.51 -17.34 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.07 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -91.2 -39.52 12.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -97.91 -58.39 2.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.606 ' HB3' HG21 ' A' ' 81' ' ' VAL . 9.1 mt -56.67 -13.15 2.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.405 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -70.85 115.86 10.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 179.894 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 65.92 13.83 60.05 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.519 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.608 HG23 HG13 ' A' ' 74' ' ' VAL . 1.3 t -78.43 153.35 31.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.751 0.31 . . . . 0.0 111.16 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -114.8 95.07 5.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.608 HG13 HG23 ' A' ' 72' ' ' THR . 3.2 m -110.93 141.59 25.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.099 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.596 ' HG3' HD21 ' A' ' 29' ' ' LEU . 5.8 mm-40 54.51 34.96 22.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.0 m 62.43 28.87 17.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.821 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 70.6 t -138.04 117.61 15.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -68.92 107.31 3.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 79' ' ' LEU . 10.9 mt -94.15 130.13 40.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.57 108.33 18.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.909 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.606 HG21 ' HB3' ' A' ' 69' ' ' LEU . 3.6 t -109.14 135.27 48.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -138.25 155.3 48.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.912 HD13 HG21 ' A' ' 66' ' ' VAL . 13.9 mm -69.82 96.17 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.158 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -40.15 120.07 1.13 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 41.6 mtp180 -89.28 33.65 0.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.3 ttpt -120.88 36.22 4.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -125.08 83.73 60.12 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.584 0.707 . . . . 0.0 110.971 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -175.15 1.06 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.632 2.221 . . . . 0.0 112.361 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 34.5 ttm -74.93 113.62 12.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.7 mt -113.64 77.46 1.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.26 125.18 26.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.82 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.8 t -78.38 170.73 16.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -94.79 178.68 36.53 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -49.43 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.678 2.252 . . . . 0.0 112.353 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 92.0 p -54.0 177.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.8 m -157.1 170.23 22.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.831 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.498 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.9 m -118.67 80.97 1.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.914 0.388 . . . . 0.0 110.869 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.0 t -109.87 94.67 5.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.19 174.87 14.99 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.452 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.5 m -126.87 116.79 21.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.885 0.374 . . . . 0.0 110.852 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 t -170.35 178.06 3.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.53 -139.99 3.25 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.7 mp0 -55.85 110.87 0.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 110.87 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.9 mmt85 -45.64 129.54 8.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -94.56 170.3 9.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -103.88 143.64 27.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.581 0.705 . . . . 0.0 111.1 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 113.11 3.27 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.663 2.242 . . . . 0.0 112.366 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -67.75 163.74 20.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.401 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -162.4 148.48 12.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -173.56 148.2 10.04 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.526 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.7 p-10 -108.39 -36.4 6.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.926 0.393 . . . . 0.0 110.904 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.6 m -86.19 155.71 20.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.662 HD22 HG23 ' A' ' 66' ' ' VAL . 10.7 mt -139.91 127.4 21.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -85.71 111.64 20.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.669 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 42.1 t -102.63 151.28 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.12 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.455 ' CD1' ' N ' ' A' ' 22' ' ' GLY . 10.3 t80 -133.4 145.49 50.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.455 ' N ' ' CD1' ' A' ' 21' ' ' TYR . . . -165.12 -179.97 39.34 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.505 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -133.47 -39.88 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.35 . . . . 0.0 110.841 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -124.48 41.16 3.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.439 ' HG2' HD21 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -115.35 157.54 23.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 47.8 p -130.9 155.64 81.19 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.598 0.713 . . . . 0.0 111.114 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -48.01 -57.24 2.46 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.682 2.255 . . . . 0.0 112.322 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 52.1 m -46.85 -34.04 5.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.118 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.523 HD11 ' CB ' ' A' ' 75' ' ' GLU . 5.6 tt -69.91 -50.34 43.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.511 HD11 ' SD ' ' A' ' 45' ' ' MET . 9.6 mt -59.38 -26.48 65.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -63.52 -43.56 96.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -90.93 -5.23 68.42 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.512 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.9 -35.51 10.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.79 0.329 . . . . 0.0 111.071 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.696 ' CE2' HD12 ' A' ' 69' ' ' LEU . 42.1 m-85 -93.5 -21.19 19.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.584 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -58.99 -45.94 99.55 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.645 0.736 . . . . 0.0 110.844 -179.774 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 35' ' ' SER . 66.1 Cg_exo -48.0 -33.98 21.8 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.73 2.287 . . . . 0.0 112.306 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.406 ' CZ ' ' HB2' ' A' ' 68' ' ' GLU . 88.1 m-85 -78.93 -36.3 41.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -178.09 -165.13 32.43 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.477 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -89.33 130.9 35.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.777 0.322 . . . . 0.0 110.902 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.445 HG21 ' HB2' ' A' ' 43' ' ' LEU . 60.4 mt -93.15 110.55 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 14.1 pt -95.88 -25.71 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.144 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -142.1 111.74 6.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.915 HD13 HG22 ' A' ' 54' ' ' VAL . 9.8 tp -133.41 111.21 10.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.944 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.4 p -122.04 141.38 51.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.878 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 2.8 mmm -123.22 135.05 54.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.542 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 9.7 m-20 -120.18 95.52 49.1 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.54 0.686 . . . . 0.0 110.886 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.596 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 64.4 Cg_exo -47.95 -43.39 30.09 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.7 2.267 . . . . 0.0 112.329 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 64.6 Cg_exo -47.9 -58.31 1.82 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 51' ' ' CYS . 8.4 mmt85 -92.48 15.72 13.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 38.65 30.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.412 ' N ' ' O ' ' A' ' 49' ' ' ARG . 72.6 m -116.25 -177.33 3.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.878 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -159.97 175.77 12.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.501 ' CD1' ' C ' ' A' ' 52' ' ' ALA . 1.5 m-85 -146.49 108.77 4.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.915 HG22 HD13 ' A' ' 43' ' ' LEU . 49.0 t -106.81 133.97 49.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.4 m -112.82 140.82 47.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.592 ' CD2' ' HB3' ' A' ' 61' ' ' SER . 20.7 m-85 -109.08 141.66 40.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -58.62 -23.29 58.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 33.8 mttm -122.22 169.8 10.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.842 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.8 ptp -84.57 -46.84 11.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -42.37 -42.95 3.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.592 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 36.4 m -58.59 -48.8 79.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.643 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -44.8 -56.91 4.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.15 -45.09 86.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.833 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.523 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 18.3 mt-30 -52.6 -65.46 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -46.89 -62.29 1.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.087 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.693 HG21 HD13 ' A' ' 83' ' ' ILE . 9.8 t -50.35 -18.39 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.168 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -87.47 -35.13 18.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.076 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.406 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 10.4 mt-10 -98.13 -58.28 2.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.696 HD12 ' CE2' ' A' ' 34' ' ' PHE . 8.9 mt -53.39 -26.49 19.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -52.33 117.02 2.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 56.65 22.15 38.52 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.453 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.581 HG23 HG13 ' A' ' 74' ' ' VAL . 1.3 t -81.18 155.21 26.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.787 0.327 . . . . 0.0 111.135 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -116.85 95.39 4.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.581 HG13 HG23 ' A' ' 72' ' ' THR . 3.3 m -114.31 142.22 27.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.117 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.523 ' CB ' HD11 ' A' ' 29' ' ' LEU . 8.5 mm-40 54.37 34.78 21.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.7 m 63.59 29.97 15.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 41.4 t -138.02 121.6 20.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.089 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -76.09 102.64 5.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.439 HD21 ' HG2' ' A' ' 25' ' ' MET . 29.0 mt -92.43 141.78 28.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.4 ttmm -122.73 112.0 17.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.431 HG12 HG22 ' A' ' 66' ' ' VAL . 4.2 t -109.96 145.27 16.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.46 ' C ' ' ND2' ' A' ' 82' ' ' ASN . 0.2 OUTLIER -147.83 151.38 35.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.693 HD13 HG21 ' A' ' 66' ' ' VAL . 10.9 mm -72.55 94.7 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -40.3 122.64 1.6 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.077 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -65.86 -47.39 75.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -87.94 99.32 12.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.928 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -127.47 77.19 76.16 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.634 0.73 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -176.11 1.37 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.675 2.25 . . . . 0.0 112.339 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 5.7 mmt 47.16 38.57 6.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.3 tt -119.76 -59.58 1.79 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -38.45 -45.63 1.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 79.0 p -39.58 109.63 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.831 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -154.24 83.82 0.15 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -33.06 17.14 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.659 2.239 . . . . 0.0 112.338 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.8 t -113.77 134.33 54.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 54.5 p -171.29 149.02 2.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.488 -179.963 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.4 m -131.53 132.64 44.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.9 0.381 . . . . 0.0 110.865 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.5 p -53.21 -49.64 66.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.842 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.4 63.83 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.3 m -102.12 110.5 22.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.899 0.38 . . . . 0.0 110.842 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 t -169.6 115.75 0.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.41 121.6 1.89 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.483 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -51.12 -53.85 30.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.891 0.377 . . . . 0.0 110.928 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 55.0 mtp85 61.19 38.79 16.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 -120.04 107.61 13.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -43.44 143.73 1.43 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.563 0.696 . . . . 0.0 111.117 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 95.94 0.57 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.655 2.236 . . . . 0.0 112.34 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.413 ' HB2' ' NH1' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -41.74 123.26 2.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.2 ptmm? -112.19 -49.68 2.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.45 114.22 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.509 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 -119.5 -39.29 2.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.898 0.38 . . . . 0.0 110.849 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.667 ' O ' HD23 ' A' ' 18' ' ' LEU . 2.8 m -84.16 151.99 24.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.667 HD23 ' O ' ' A' ' 17' ' ' THR . 10.3 mt -137.41 126.26 24.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -80.98 118.67 22.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.95 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.472 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 4.6 t -114.04 142.63 26.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.136 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -133.43 124.66 27.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.416 ' HA3' ' CG ' ' A' ' 25' ' ' MET . . . -138.78 -175.61 14.09 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.522 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -131.57 -42.25 1.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.914 0.387 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.526 ' O ' HG21 ' A' ' 77' ' ' VAL . 0.9 OUTLIER -122.74 43.48 2.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.416 ' CG ' ' HA3' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -118.96 151.9 37.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.8 p -121.97 158.21 55.57 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.541 0.686 . . . . 0.0 111.165 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -48.01 -55.47 3.99 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.657 2.238 . . . . 0.0 112.353 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.9 m -57.77 -30.55 65.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.164 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.441 ' CG ' ' HG3' ' A' ' 75' ' ' GLU . 6.0 tt -65.27 -47.5 76.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.435 HD11 ' CE ' ' A' ' 45' ' ' MET . 12.0 mt -64.0 -30.27 71.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.0 mtp180 -56.21 -41.05 74.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -92.37 -6.0 64.85 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.531 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.31 -33.66 13.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 0.0 111.105 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.637 ' CE2' HD12 ' A' ' 69' ' ' LEU . 35.0 m-85 -95.78 -29.31 14.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.575 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -51.34 -45.95 89.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.637 0.732 . . . . 0.0 110.841 -179.756 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' ' 35' ' ' SER . 64.8 Cg_exo -48.02 -20.56 2.18 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.708 2.272 . . . . 0.0 112.343 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -91.79 -35.78 13.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.67 -137.19 2.41 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -117.59 123.16 45.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.753 0.311 . . . . 0.0 110.89 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.586 HG21 ' HB2' ' A' ' 43' ' ' LEU . 49.9 mt -83.89 105.44 13.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.198 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.2 pt -91.05 -16.7 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -151.42 111.02 4.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.821 HD13 HG22 ' A' ' 54' ' ' VAL . 10.6 tp -133.81 109.68 9.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.9 t -120.29 148.54 43.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.435 ' CE ' HD11 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -125.49 141.86 51.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.548 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 42.1 m-20 -130.07 95.48 28.08 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.622 0.725 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.592 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 64.8 Cg_exo -47.93 -43.27 30.28 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.658 2.239 . . . . 0.0 112.41 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.592 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.6 Cg_exo -48.0 -65.32 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.705 2.27 . . . . 0.0 112.317 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.8 mmm-85 -85.98 0.8 52.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 49.92 50.51 18.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 26.4 p -134.35 175.42 9.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.413 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -153.82 152.34 30.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -117.15 102.73 9.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.899 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.821 HG22 HD13 ' A' ' 43' ' ' LEU . 66.4 t -101.6 117.53 47.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.089 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 53.2 m -106.03 135.26 47.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.402 ' CD2' HD11 ' A' ' 18' ' ' LEU . 29.4 m-85 -101.76 145.93 28.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -60.42 -18.36 50.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -129.18 157.31 42.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.418 ' HG2' ' N ' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -77.9 -29.66 50.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.897 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.418 ' N ' ' HG2' ' A' ' 59' ' ' MET . 2.5 pt-20 -59.36 -33.95 71.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.5 m -70.97 -36.59 72.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.866 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.575 ' HB1' HD21 ' A' ' 18' ' ' LEU . . . -53.58 -53.78 46.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.12 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.419 ' CG ' ' N ' ' A' ' 64' ' ' GLN . 0.2 OUTLIER -64.4 -47.42 79.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.476 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 32.9 mt-30 -51.55 -64.35 0.84 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -46.14 -61.97 1.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.098 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.527 HG22 HG12 ' A' ' 81' ' ' VAL . 12.9 t -51.1 -20.19 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -87.13 -35.89 18.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -98.03 -58.09 2.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.637 HD12 ' CE2' ' A' ' 34' ' ' PHE . 8.7 mt -54.81 -20.99 9.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.445 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -63.15 118.65 8.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 65.78 13.03 58.48 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.561 HG23 HG13 ' A' ' 74' ' ' VAL . 1.1 t -75.43 158.69 32.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.788 0.328 . . . . 0.0 111.138 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -120.7 95.0 4.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.561 HG13 HG23 ' A' ' 72' ' ' THR . 3.2 m -112.0 141.86 26.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.441 ' HG3' ' CG ' ' A' ' 29' ' ' LEU . 5.2 mm-40 52.07 39.45 26.51 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.7 m 58.57 29.01 17.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.526 HG21 ' O ' ' A' ' 24' ' ' ASP . 95.1 t -138.16 118.05 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.153 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -69.52 111.36 5.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.7 mt -95.1 133.03 39.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -114.08 106.64 14.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.527 HG12 HG22 ' A' ' 66' ' ' VAL . 14.0 t -105.45 149.55 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -152.79 149.16 28.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.527 HD13 HG21 ' A' ' 66' ' ' VAL . 9.2 mm -68.92 95.3 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.131 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 83' ' ' ILE . . . -37.12 106.68 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.061 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.81 -18.76 65.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.8 tptm -102.05 83.65 2.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -121.95 83.79 44.15 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.596 0.712 . . . . 0.0 110.935 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -179.67 3.09 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.69 2.26 . . . . 0.0 112.293 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 28.2 ttp -72.97 120.34 18.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.2 mp -62.87 122.61 16.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -132.69 112.08 11.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 23.0 t -55.69 -54.29 46.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -178.07 146.09 7.32 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.521 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -27.9 25.77 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.688 2.259 . . . . 0.0 112.333 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.8 t -65.92 153.97 40.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.848 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 m -112.85 110.39 20.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.837 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.456 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.0 p -119.42 -179.34 3.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.871 0.367 . . . . 0.0 110.866 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.6 m 49.01 46.72 22.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.854 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.9 114.94 2.32 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.9 p -171.64 134.34 0.82 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.888 0.375 . . . . 0.0 110.85 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.2 p -131.76 144.03 50.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.71 131.1 10.13 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.509 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -93.35 -55.62 3.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.887 0.375 . . . . 0.0 110.909 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 83.1 mtt180 -80.42 171.9 14.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 45.8 mtt180 -89.49 -35.7 15.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -175.03 144.79 0.84 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.585 0.707 . . . . 0.0 111.12 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.471 ' O ' ' C ' ' A' ' 13' ' ' ARG . 53.8 Cg_endo -69.77 2.9 3.12 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.686 2.257 . . . . 0.0 112.342 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.471 ' C ' ' O ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER 31.29 43.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.4 pttm -119.86 -11.51 9.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.38 164.42 47.96 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.475 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -113.01 -29.33 7.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.936 0.398 . . . . 0.0 110.891 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.865 ' O ' HD23 ' A' ' 18' ' ' LEU . 3.0 m -86.03 156.16 20.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.13 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.865 HD23 ' O ' ' A' ' 17' ' ' THR . 11.1 mt -138.42 127.05 23.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -83.85 102.46 12.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.956 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.537 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 41.7 t -96.14 145.87 8.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.163 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -135.62 132.74 37.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.97 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.422 ' HA3' ' CG ' ' A' ' 25' ' ' MET . . . -151.55 178.97 28.56 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.435 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -126.35 -48.75 1.56 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.868 0.366 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -118.8 45.96 1.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.422 ' CG ' ' HA3' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -115.18 157.87 23.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.1 p -129.33 153.99 80.59 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.57 0.7 . . . . 0.0 111.109 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_exo -47.98 -62.56 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.682 2.255 . . . . 0.0 112.325 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 86.4 m -45.9 -31.45 2.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.414 HD11 ' CB ' ' A' ' 75' ' ' GLU . 5.6 tt -69.38 -49.25 57.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.2 mt -61.09 -30.58 70.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.932 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.461 ' HA ' ' CD1' ' A' ' 40' ' ' ILE . 13.6 mtp85 -58.02 -44.41 87.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -89.38 -11.07 64.93 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.499 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.69 -32.62 16.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.802 0.334 . . . . 0.0 111.128 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.537 ' CZ ' HG21 ' A' ' 20' ' ' VAL . 28.1 m-85 -95.36 -28.03 15.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.93 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.574 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -52.51 -46.09 95.44 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.672 0.749 . . . . 0.0 110.871 -179.776 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 35' ' ' SER . 64.5 Cg_exo -47.97 -21.43 2.69 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.671 2.247 . . . . 0.0 112.339 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -91.9 -29.31 16.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 177.99 -139.76 4.35 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.523 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -115.05 122.28 45.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.748 0.309 . . . . 0.0 110.962 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.516 HG21 ' HB2' ' A' ' 43' ' ' LEU . 35.9 mt -83.34 105.4 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.086 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.5 pt -94.34 -21.01 5.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.152 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -143.77 106.04 4.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.881 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.728 HD13 HG22 ' A' ' 54' ' ' VAL . 6.9 tp -130.75 111.62 12.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.538 ' O ' ' HB1' ' A' ' 52' ' ' ALA . 9.1 t -121.53 145.59 47.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.637 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 1.8 mmt -130.62 135.91 48.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.535 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 16.0 t0 -132.64 95.54 19.89 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.592 0.71 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.582 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 64.3 Cg_exo -47.91 -43.36 29.92 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.696 2.264 . . . . 0.0 112.34 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 64.8 Cg_exo -47.93 -63.24 0.33 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.698 2.265 . . . . 0.0 112.35 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.8 mmt85 -79.91 -0.87 36.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 m120 50.49 47.1 24.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.5 p -147.96 170.82 16.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.637 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -150.03 168.37 24.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -131.66 108.01 9.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.728 HG22 HD13 ' A' ' 43' ' ' LEU . 65.7 t -104.09 134.53 45.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 51.2 m -117.69 149.97 39.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.171 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.435 ' CE2' HD11 ' A' ' 18' ' ' LEU . 21.7 m-85 -118.46 141.12 48.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -58.97 -16.28 17.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -136.34 112.61 9.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.461 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 10.6 ptp -37.81 -42.37 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 59' ' ' MET . 16.3 pt-20 -37.09 -51.97 0.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.929 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 72.6 m -57.93 -40.4 80.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.574 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -40.82 -57.4 1.95 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.127 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.421 ' OD1' ' C ' ' A' ' 63' ' ' ASP . 1.6 t0 -65.73 -40.13 91.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.483 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 27.8 mt-30 -54.5 -65.76 0.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -46.78 -57.93 4.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.087 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.565 HG21 HG12 ' A' ' 83' ' ' ILE . 14.6 t -52.75 -18.69 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -87.75 -37.91 16.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.068 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -97.75 -58.97 1.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.534 HD12 ' CE2' ' A' ' 34' ' ' PHE . 10.4 mt -52.33 -32.47 38.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -50.22 117.3 2.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 58.67 26.41 60.01 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.517 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.629 HG23 HG13 ' A' ' 74' ' ' VAL . 1.4 t -88.4 155.29 19.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.712 0.291 . . . . 0.0 111.166 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -114.66 95.72 5.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.629 HG13 HG23 ' A' ' 72' ' ' THR . 3.6 m -113.66 140.11 35.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.09 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.414 ' CB ' HD11 ' A' ' 29' ' ' LEU . 5.6 mm-40 54.56 30.7 13.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 t 68.51 29.99 5.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 39.5 t -138.34 116.99 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.12 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -71.93 100.45 2.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.8 mt -89.91 136.98 32.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 27.1 mttm -119.28 108.78 15.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.466 HG22 HG22 ' A' ' 20' ' ' VAL . 4.6 t -110.5 140.14 30.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.142 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -145.04 141.84 29.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.565 HG12 HG21 ' A' ' 66' ' ' VAL . 6.1 mm -66.38 109.26 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.119 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 85' ' ' ARG . . . -51.83 164.17 0.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.138 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.427 ' O ' ' C ' ' A' ' 86' ' ' LYS . 30.6 mtp180 -36.62 153.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.832 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 85' ' ' ARG . 11.1 pttt -36.03 140.5 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -132.34 81.11 61.56 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.601 0.715 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -179.1 2.67 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.637 2.224 . . . . 0.0 112.365 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.422 ' O ' ' C ' ' A' ' 90' ' ' LEU . 24.8 mtm -97.0 74.56 2.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.778 ' H ' HD23 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -35.95 127.76 0.7 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.962 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -113.39 -54.29 2.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.849 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.1 t 55.76 33.72 21.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.836 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 157.74 -95.95 0.15 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.499 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 122.09 8.76 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.681 2.254 . . . . 0.0 112.348 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 37.1 t -160.02 126.81 4.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.831 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 45.0 t -79.47 114.65 18.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.475 -179.958 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.8 m -99.6 96.71 7.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.916 0.389 . . . . 0.0 110.854 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t 59.94 42.37 16.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.845 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.52 88.82 0.19 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.476 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 m -73.52 -46.72 46.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.854 0.359 . . . . 0.0 110.897 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.4 p -88.51 149.64 23.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.801 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.32 108.32 0.58 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.462 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -69.59 95.58 0.86 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.835 0.35 . . . . 0.0 110.895 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.8 tpt85 -40.54 -45.07 2.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -38.79 121.64 1.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.04 152.41 86.42 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.643 0.735 . . . . 0.0 111.063 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 126.7 13.59 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.711 2.274 . . . . 0.0 112.279 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -91.26 141.77 28.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 42.4 mttt -61.35 153.33 27.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.953 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.453 ' O ' ' CB ' ' A' ' 62' ' ' ALA . . . -163.72 162.76 35.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.471 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 -109.51 -46.51 3.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.959 0.409 . . . . 0.0 110.936 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.3 m -84.6 153.66 23.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.789 HD21 ' HA ' ' A' ' 62' ' ' ALA . 7.3 mt -136.5 127.69 28.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -81.61 108.11 14.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.631 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 16.8 t -106.64 143.3 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.123 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.419 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 5.3 t80 -137.83 127.53 25.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.401 ' HA3' ' CG ' ' A' ' 25' ' ' MET . . . -138.84 -165.74 10.37 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.495 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -132.23 -56.4 0.97 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.891 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -114.15 41.58 2.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.457 ' HG2' ' CD2' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -109.95 151.79 26.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.6 p -124.6 156.91 67.22 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.663 0.744 . . . . 0.0 111.116 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -47.97 -62.56 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.661 2.241 . . . . 0.0 112.342 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 94.2 m -46.71 -34.18 4.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.167 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.447 ' O ' HD23 ' A' ' 29' ' ' LEU . 5.5 tt -66.79 -47.76 71.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.6 mt -61.12 -30.76 70.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.7 mtp180 -59.19 -41.11 87.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -91.35 -7.49 65.27 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.459 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.14 -34.55 13.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.81 0.338 . . . . 0.0 111.083 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.631 ' CZ ' HG21 ' A' ' 20' ' ' VAL . 36.9 m-85 -94.41 -22.75 18.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.572 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -58.37 -46.09 99.65 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.631 0.729 . . . . 0.0 110.856 -179.799 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 35' ' ' SER . 64.2 Cg_exo -47.9 -19.16 1.36 Allowed 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.691 2.26 . . . . 0.0 112.381 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.469 ' HE1' HD21 ' A' ' 69' ' ' LEU . 82.7 m-85 -91.36 -37.07 13.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.25 -129.4 1.17 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.508 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -123.82 133.77 53.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.81 0.338 . . . . 0.0 110.901 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.487 HG21 ' HB2' ' A' ' 43' ' ' LEU . 33.5 mt -96.7 113.72 31.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.082 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.5 pt -99.51 -24.01 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -141.67 107.75 5.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.714 HD13 HG22 ' A' ' 54' ' ' VAL . 8.1 tp -129.9 110.15 11.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.3 t -129.76 134.8 47.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.828 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.827 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 0.8 OUTLIER -107.32 151.45 25.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.87 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.544 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 16.7 t70 -129.18 95.6 30.53 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.586 0.708 . . . . 0.0 110.845 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.596 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 65.1 Cg_exo -47.96 -43.42 30.05 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.753 2.302 . . . . 0.0 112.297 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 64.0 Cg_exo -47.93 -65.2 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.698 2.265 . . . . 0.0 112.359 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -89.59 12.36 16.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.0 m120 40.85 44.06 1.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 7.5 p -120.68 -177.92 3.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.827 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -156.79 148.53 22.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.083 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -119.64 102.77 8.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.714 HG22 HD13 ' A' ' 43' ' ' LEU . 45.8 t -101.65 115.2 42.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.148 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.3 m -97.32 139.79 32.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.543 ' CE2' HD11 ' A' ' 18' ' ' LEU . 14.5 m-85 -107.57 142.16 37.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -58.64 -19.9 43.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -128.15 166.55 18.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.25 -21.05 27.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.834 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -61.39 -45.02 96.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.48 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 48.9 m -59.76 -48.5 81.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.789 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -40.31 -60.9 0.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.089 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -63.26 -41.0 98.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.436 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 9.0 mt-30 -55.43 -67.21 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -47.23 -59.98 2.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 1.027 HG21 HD13 ' A' ' 83' ' ' ILE . 17.5 t -47.99 -21.68 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -88.75 -36.84 15.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.065 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -97.58 -58.44 2.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.604 HD12 ' CE2' ' A' ' 34' ' ' PHE . 9.8 mt -54.93 -17.12 3.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -65.89 118.36 9.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 61.17 18.01 53.85 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.492 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.594 HG23 HG13 ' A' ' 74' ' ' VAL . 1.3 t -82.56 153.62 25.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.743 0.306 . . . . 0.0 111.124 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -114.9 95.12 5.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.594 HG13 HG23 ' A' ' 72' ' ' THR . 3.2 m -109.71 140.69 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.405 ' HG3' HD21 ' A' ' 29' ' ' LEU . 8.6 mm-40 55.39 29.1 12.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.4 p 68.92 29.3 5.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 43.1 t -138.24 118.91 16.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.132 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -73.42 112.79 9.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.457 ' CD2' ' HG2' ' A' ' 25' ' ' MET . 46.8 mt -102.52 140.55 36.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -118.19 106.11 12.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.515 HG22 HG22 ' A' ' 20' ' ' VAL . 16.7 t -104.69 145.87 12.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -147.08 155.58 42.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 1.027 HD13 HG21 ' A' ' 66' ' ' VAL . 14.6 mm -73.14 94.87 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.091 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.79 157.73 1.13 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.092 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.01 30.1 5.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -105.36 41.4 1.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.936 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -124.49 75.18 62.46 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.578 0.704 . . . . 0.0 110.925 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 -171.56 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.68 2.253 . . . . 0.0 112.363 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 49.5 tpp -73.37 127.36 32.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.8 mp -89.31 42.75 1.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -66.15 -60.34 2.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.0 p -78.8 166.75 22.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.42 96.06 0.51 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.512 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 89.54 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.693 2.262 . . . . 0.0 112.372 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.2 t 68.17 41.25 1.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 80.6 p -147.71 138.76 23.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.531 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.5 m -109.44 106.53 16.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.908 0.385 . . . . 0.0 110.807 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -156.66 109.2 2.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.827 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.32 -139.89 3.39 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.5 p -94.21 159.26 15.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.91 0.386 . . . . 0.0 110.835 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.6 m -102.97 127.82 50.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.46 149.1 18.04 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.479 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 9' ' ' ARG . 4.6 tp10 -82.97 105.32 13.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.855 0.36 . . . . 0.0 110.876 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 8' ' ' GLU . 17.9 ptt180 34.34 43.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 10' ' ' ARG . 9.0 ttp-105 -117.21 124.74 49.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -134.07 150.78 75.24 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.592 0.71 . . . . 0.0 111.059 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 99.61 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.676 2.251 . . . . 0.0 112.374 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -73.11 -52.84 12.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.06 155.17 20.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.451 ' O ' ' HB2' ' A' ' 62' ' ' ALA . . . 174.06 94.21 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.447 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -107.88 -39.84 5.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.905 0.383 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.569 ' O ' HD23 ' A' ' 18' ' ' LEU . 9.1 m -88.73 156.16 19.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.848 HD21 ' HA ' ' A' ' 62' ' ' ALA . 8.8 mt -139.34 128.28 23.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -81.35 108.87 15.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.659 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 21.5 t -108.68 146.56 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.129 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -143.09 118.08 10.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.42 -174.92 13.83 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.514 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.548 ' CD ' ' N ' ' A' ' 23' ' ' GLU . 2.8 mp0 -117.36 -70.32 0.8 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.855 0.36 . . . . 0.0 110.868 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -103.5 52.68 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.508 ' HG2' HD21 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -120.41 149.52 42.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.7 p -120.06 156.44 54.62 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.617 0.723 . . . . 0.0 111.107 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_exo -47.99 -53.04 7.22 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.648 2.232 . . . . 0.0 112.346 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 59.8 m -55.62 -33.38 63.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.122 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.525 ' O ' HD23 ' A' ' 29' ' ' LEU . 5.7 tt -65.17 -47.14 78.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.8 mt -62.32 -31.47 72.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.517 ' HG2' HD23 ' A' ' 43' ' ' LEU . 42.4 mtt-85 -56.04 -43.12 77.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.859 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -90.93 -4.5 69.23 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.07 -32.78 12.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.854 0.359 . . . . 0.0 111.098 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.659 ' CZ ' HG21 ' A' ' 20' ' ' VAL . 23.8 m-85 -95.46 -26.63 15.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.586 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -51.62 -46.03 91.11 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.661 0.743 . . . . 0.0 110.846 -179.756 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 35' ' ' SER . 66.1 Cg_exo -48.0 -37.75 30.4 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.697 2.264 . . . . 0.0 112.318 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.433 ' HE1' HD21 ' A' ' 69' ' ' LEU . 93.3 m-85 -76.42 -37.79 56.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.08 -166.55 32.37 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.504 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -92.54 117.35 29.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.353 . . . . 0.0 110.85 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.439 HG21 ' HB2' ' A' ' 43' ' ' LEU . 33.4 mt -76.33 114.34 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.1 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.449 HG21 ' OE1' ' A' ' 57' ' ' GLU . 13.1 pt -101.47 -18.9 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.163 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -149.03 108.43 3.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.963 HD13 HG22 ' A' ' 54' ' ' VAL . 12.8 tp -134.6 113.18 11.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.4 m -127.02 145.5 50.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.752 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 0.9 OUTLIER -121.46 136.04 54.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.542 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 4.5 m-20 -122.09 95.68 47.2 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.612 0.72 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.585 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 65.1 Cg_exo -47.97 -43.31 30.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.671 2.247 . . . . 0.0 112.349 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.6 Cg_exo -48.01 -32.74 18.87 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.705 2.27 . . . . 0.0 112.319 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.6 mmm-85 -120.94 14.58 11.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.1 m120 36.54 37.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 27.4 p -122.63 170.09 10.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.752 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -145.52 157.84 43.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -127.55 101.2 6.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.963 HG22 HD13 ' A' ' 43' ' ' LEU . 45.6 t -98.31 125.63 51.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.177 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.9 m -108.81 136.61 48.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.622 ' CD2' HD11 ' A' ' 18' ' ' LEU . 28.4 m-85 -107.17 144.44 33.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.449 ' OE1' HG21 ' A' ' 41' ' ' ILE . 7.8 tp10 -60.24 -34.59 73.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.9 148.73 31.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.32 -25.93 63.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.835 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -57.76 -44.11 85.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.466 ' HB2' ' CB ' ' A' ' 56' ' ' TYR . 50.7 m -59.22 -48.66 80.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.848 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -40.97 -56.35 2.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.043 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -67.61 -42.62 82.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.458 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 20.3 mt-30 -55.34 -67.65 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -45.0 -57.49 3.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.12 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.733 HG21 HD13 ' A' ' 83' ' ' ILE . 15.9 t -53.79 -21.53 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -84.41 -37.01 21.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.413 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 10.4 mt-10 -97.6 -58.34 2.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 65' ' ' ALA . 8.6 mt -52.43 -22.87 5.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -59.11 115.77 3.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 59.27 25.81 60.72 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.526 HG23 HG13 ' A' ' 74' ' ' VAL . 1.9 t -86.25 159.22 19.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.767 0.318 . . . . 0.0 111.178 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -118.84 95.17 4.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.526 HG13 HG23 ' A' ' 72' ' ' THR . 3.7 m -112.71 139.93 35.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 54.55 33.74 19.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 48.1 m 64.83 29.82 12.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 49.5 t -138.48 124.17 24.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.179 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -77.51 112.93 14.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.96 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.508 HD21 ' HG2' ' A' ' 25' ' ' MET . 14.4 mt -100.79 138.12 38.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.942 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -116.81 106.67 13.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.565 HG13 HG22 ' A' ' 20' ' ' VAL . 6.3 t -106.6 149.85 9.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.14 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 43.0 m-20 -152.82 150.26 29.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.733 HD13 HG21 ' A' ' 66' ' ' VAL . 15.8 mm -67.95 97.14 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.167 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.57 105.13 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.067 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -57.94 -48.67 79.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -81.57 99.19 8.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -120.01 80.94 26.96 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.55 0.691 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -3.68 12.46 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.663 2.242 . . . . 0.0 112.38 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 54.9 mtp -98.03 113.96 25.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -118.39 115.66 25.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -72.95 121.9 20.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.2 t -145.58 128.55 16.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 131.79 138.34 4.17 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.467 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 104.63 1.35 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.685 2.257 . . . . 0.0 112.386 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 69.9 m -82.87 40.12 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.8 m 38.22 41.71 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.859 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.481 -179.992 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -47.69 172.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.874 0.368 . . . . 0.0 110.819 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 t -105.22 157.13 17.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.805 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.85 -62.86 3.21 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.499 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -92.56 -51.96 4.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.893 0.378 . . . . 0.0 110.87 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 t -56.34 155.11 7.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.29 -103.12 1.78 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.5 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -132.49 143.1 49.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.82 0.343 . . . . 0.0 110.921 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 60.0 mtm180 -76.1 156.86 33.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -109.35 88.54 2.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -128.86 148.93 70.81 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.608 0.718 . . . . 0.0 111.061 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -173.18 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.637 2.225 . . . . 0.0 112.323 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 41.35 44.64 2.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.1 tttt -105.41 -48.35 3.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.939 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.16 90.32 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.495 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 -109.1 -44.09 4.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.951 0.405 . . . . 0.0 110.916 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.7 m -84.33 149.36 26.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.171 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.753 HD11 ' CD2' ' A' ' 56' ' ' TYR . 7.7 mt -132.76 128.8 37.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -82.56 110.71 17.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.547 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 17.3 t -103.51 147.03 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.12 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.506 ' HD1' ' HG ' ' A' ' 51' ' ' CYS . 8.5 t80 -137.55 139.61 40.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.409 ' HA3' ' CG ' ' A' ' 25' ' ' MET . . . -158.64 178.7 34.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.455 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.542 ' CD ' ' N ' ' A' ' 23' ' ' GLU . 2.8 mp0 -119.1 -61.15 1.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.881 0.372 . . . . 0.0 110.896 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -109.96 50.6 0.79 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.468 ' HG2' HD21 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -120.8 150.31 41.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.6 p -122.1 158.52 55.02 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.538 0.685 . . . . 0.0 111.16 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -47.95 -61.68 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.69 2.26 . . . . 0.0 112.363 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 94.7 m -44.56 -35.88 2.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.451 HD11 ' CB ' ' A' ' 75' ' ' GLU . 6.1 tt -65.14 -53.23 48.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.5 mt -56.43 -31.62 64.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.442 ' HG2' HD23 ' A' ' 43' ' ' LEU . 35.7 mtp180 -58.72 -40.57 84.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -91.56 -5.35 67.0 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.494 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.7 -33.82 12.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.803 0.335 . . . . 0.0 111.103 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.669 ' CE2' HD12 ' A' ' 69' ' ' LEU . 35.0 m-85 -94.6 -25.31 16.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.576 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -56.84 -45.93 99.9 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.679 0.752 . . . . 0.0 110.863 -179.756 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' ' 35' ' ' SER . 65.9 Cg_exo -47.99 -20.32 2.03 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.677 2.252 . . . . 0.0 112.309 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -90.61 -33.6 15.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -178.41 -124.49 0.87 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.459 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -125.73 140.67 52.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.853 0.359 . . . . 0.0 110.883 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.578 HD11 ' HB2' ' A' ' 34' ' ' PHE . 68.3 mt -104.15 110.3 29.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.2 pt -95.3 -24.23 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -143.42 113.76 7.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.841 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.696 HD13 HG22 ' A' ' 54' ' ' VAL . 4.3 tp -135.95 112.88 10.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.45 ' N ' HD12 ' A' ' 43' ' ' LEU . 6.9 t -122.65 147.3 46.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.617 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 0.3 OUTLIER -127.7 141.67 51.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.543 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 8.6 m-20 -126.87 95.6 36.9 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.596 0.713 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.597 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 64.8 Cg_exo -47.97 -43.39 30.19 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.679 2.252 . . . . 0.0 112.321 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.0 Cg_exo -47.92 -62.13 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.657 2.238 . . . . 0.0 112.392 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -85.99 -2.9 58.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.8 m120 55.87 35.69 25.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.506 ' HG ' ' HD1' ' A' ' 21' ' ' TYR . 50.7 m -121.65 -178.36 3.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.617 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -156.98 172.69 18.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.087 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -142.36 109.05 5.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.696 HG22 HD13 ' A' ' 43' ' ' LEU . 60.6 t -106.02 132.94 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.152 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.4 m -116.08 128.95 56.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.183 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.753 ' CD2' HD11 ' A' ' 18' ' ' LEU . 27.3 m-85 -96.24 143.12 27.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -58.47 -18.7 30.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -132.46 163.02 29.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.39 -23.48 30.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -62.88 -19.95 64.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.3 m -90.83 -30.17 17.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.706 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -55.69 -54.45 44.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.079 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.36 -39.45 92.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.43 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 40.3 mt-30 -56.77 -68.21 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -46.47 -56.99 5.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.93 HG21 HD13 ' A' ' 83' ' ' ILE . 12.0 t -54.86 -17.31 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.155 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -91.46 -33.78 15.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -97.54 -58.0 2.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.888 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.669 HD12 ' CE2' ' A' ' 34' ' ' PHE . 9.2 mt -55.84 -21.11 18.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -55.77 115.85 2.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 56.75 23.91 46.4 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.48 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.616 HG23 HG13 ' A' ' 74' ' ' VAL . 1.3 t -82.76 154.12 24.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.719 0.295 . . . . 0.0 111.14 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -114.93 95.48 5.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.616 HG13 HG23 ' A' ' 72' ' ' THR . 3.2 m -115.87 143.91 24.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.451 ' CB ' HD11 ' A' ' 29' ' ' LEU . 6.0 mm-40 53.83 36.77 24.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.1 m 61.6 28.38 17.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 94.7 t -138.02 127.01 32.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.137 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -80.24 105.51 11.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.468 HD21 ' HG2' ' A' ' 25' ' ' MET . 40.4 mt -95.73 141.24 29.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.04 113.43 19.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.613 HG12 HG22 ' A' ' 66' ' ' VAL . 8.0 t -109.37 145.11 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -148.14 157.28 43.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.93 HD13 HG21 ' A' ' 66' ' ' VAL . 11.0 mm -77.26 95.01 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -40.88 120.27 1.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 6.4 ttp-105 -69.45 -23.34 63.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.89 103.88 10.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -119.65 71.26 14.03 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.597 0.713 . . . . 0.0 110.937 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.492 ' O ' ' N ' ' A' ' 90' ' ' LEU . 54.0 Cg_endo -69.75 -174.68 0.95 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.713 2.275 . . . . 0.0 112.371 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.401 ' C ' ' O ' ' A' ' 88' ' ' PRO . 19.0 mmt 37.36 28.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.704 ' O ' HD23 ' A' ' 90' ' ' LEU . 0.5 OUTLIER -66.54 161.01 23.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -53.15 136.34 36.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 44.9 t -169.96 149.68 3.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 127.33 67.85 0.15 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.449 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -23.44 30.83 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.701 2.267 . . . . 0.0 112.363 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 59.7 p -44.97 136.46 4.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.8 t -42.96 158.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.497 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 t -70.77 -46.07 63.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.883 0.373 . . . . 0.0 110.899 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.8 m -59.08 142.16 52.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 168.05 55.99 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 4' ' ' GLY . 60.2 p 37.38 45.42 0.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.88 0.371 . . . . 0.0 110.877 -179.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 7' ' ' GLY . 55.5 m -92.71 98.18 11.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 36.75 44.95 0.99 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.516 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -64.29 123.98 20.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.875 0.369 . . . . 0.0 110.877 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 -104.9 172.12 6.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.413 ' HD2' ' C ' ' A' ' 10' ' ' ARG . 3.6 ppt_? -124.37 155.08 39.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.488 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -117.52 157.28 47.98 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.566 0.698 . . . . 0.0 111.13 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.488 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 53.7 Cg_endo -69.79 124.95 11.57 Favored 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.671 2.247 . . . . 0.0 112.377 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -60.23 104.25 0.3 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -152.9 146.97 25.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 156.72 158.56 8.94 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.513 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -115.19 -39.38 3.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.9 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.3 m -87.36 151.77 22.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.166 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.831 HD21 ' HA ' ' A' ' 62' ' ' ALA . 4.6 mt -129.89 131.7 46.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -87.11 98.91 11.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.95 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.7 t -94.13 139.59 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.117 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -141.23 122.51 14.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -137.49 -153.45 6.35 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.454 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -131.07 -61.68 0.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.834 0.35 . . . . 0.0 110.893 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -114.13 42.7 2.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.524 ' SD ' HD22 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -103.26 139.92 38.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 73.4 p -114.15 155.52 45.43 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.602 0.715 . . . . 0.0 111.113 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -47.95 -61.1 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.705 2.27 . . . . 0.0 112.368 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 90.0 m -49.5 -33.18 13.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.527 HD11 ' CB ' ' A' ' 75' ' ' GLU . 6.0 tt -66.42 -48.83 68.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.3 mt -59.85 -28.07 67.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.444 ' NH1' ' HB3' ' A' ' 31' ' ' ARG . 9.2 mtp-105 -63.4 -39.01 93.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -92.94 -11.56 58.74 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.24 -30.64 13.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.826 0.346 . . . . 0.0 111.084 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.483 ' CZ ' HD13 ' A' ' 69' ' ' LEU . 17.9 m-85 -96.52 -22.74 16.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.587 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -55.36 -46.0 99.77 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.65 0.738 . . . . 0.0 110.864 -179.788 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 35' ' ' SER . 64.8 Cg_exo -47.97 -23.44 4.31 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.661 2.241 . . . . 0.0 112.355 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.526 ' CE2' ' HG ' ' A' ' 69' ' ' LEU . 90.8 m-85 -88.89 -35.8 16.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 179.78 -158.14 21.58 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.485 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -96.16 137.26 35.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.34 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.445 HD11 ' HB2' ' A' ' 34' ' ' PHE . 88.9 mt -99.55 112.11 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.1 pt -99.89 -20.96 5.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -146.54 106.62 4.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.934 HD13 HG22 ' A' ' 54' ' ' VAL . 3.8 tp -128.27 115.6 18.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.588 ' O ' ' HB1' ' A' ' 52' ' ' ALA . 29.1 t -122.16 149.89 42.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.823 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.52 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 0.5 OUTLIER -133.37 140.32 47.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.918 179.913 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.546 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 15.5 m-20 -130.77 95.6 25.58 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.588 0.709 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.597 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 65.7 Cg_exo -47.99 -43.27 30.63 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.731 2.287 . . . . 0.0 112.298 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 64.8 Cg_exo -47.91 -59.89 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.724 2.283 . . . . 0.0 112.354 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -88.8 5.23 44.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 47.61 35.1 4.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 12.7 p -125.45 -179.09 4.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.588 ' HB1' ' O ' ' A' ' 44' ' ' SER . . . -160.73 169.28 23.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.081 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -134.41 102.26 5.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.934 HG22 HD13 ' A' ' 43' ' ' LEU . 66.6 t -100.33 132.4 46.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.118 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 27.0 m -114.55 138.48 50.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.588 ' CD2' HD11 ' A' ' 18' ' ' LEU . 13.2 m-85 -106.23 140.98 38.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -53.22 -23.51 8.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -125.42 162.83 23.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.5 ptm -82.21 -29.9 31.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.481 ' HG3' ' N ' ' A' ' 61' ' ' SER . 10.1 pt-20 -55.25 -43.1 74.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.481 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 53.8 m -64.35 -36.75 85.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.909 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.831 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -51.21 -54.93 21.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.155 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -67.5 -31.46 71.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.478 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 34.4 mt-30 -61.03 -65.44 0.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -47.51 -57.33 5.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.461 HG21 HG12 ' A' ' 83' ' ' ILE . 8.2 t -54.04 -15.69 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -91.19 -40.8 11.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -98.14 -59.02 1.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.526 ' HG ' ' CE2' ' A' ' 37' ' ' PHE . 11.2 mt -54.97 -14.35 1.45 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -66.07 118.33 9.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 60.65 20.97 57.3 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.558 HG23 HG13 ' A' ' 74' ' ' VAL . 1.3 t -87.01 154.17 20.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.738 0.304 . . . . 0.0 111.131 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -115.08 97.92 6.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.558 HG13 HG23 ' A' ' 72' ' ' THR . 3.4 m -111.72 142.55 23.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.527 ' CB ' HD11 ' A' ' 29' ' ' LEU . 55.7 mm-40 54.86 25.14 6.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.2 m 74.75 28.37 1.17 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.611 HG12 HD23 ' A' ' 79' ' ' LEU . 84.1 t -138.54 117.09 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.144 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -74.47 104.32 5.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.611 HD23 HG12 ' A' ' 77' ' ' VAL . 7.8 mt -92.43 150.6 20.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -127.14 107.67 10.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.934 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.432 ' CG1' ' HB3' ' A' ' 18' ' ' LEU . 2.4 t -104.09 129.68 55.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -136.87 137.36 39.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.461 HG12 HG21 ' A' ' 66' ' ' VAL . 7.7 mm -65.86 98.04 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -39.73 142.98 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.092 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -108.1 -13.32 14.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.475 ' CD ' ' O ' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -102.06 31.97 3.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -113.97 80.27 5.28 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.595 0.712 . . . . 0.0 110.891 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 179.48 3.68 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.671 2.247 . . . . 0.0 112.363 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 20.4 ttp -43.53 102.72 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.5 tt -88.25 -60.73 1.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -71.32 105.15 3.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.1 t -148.8 173.26 13.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 159.43 84.78 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.477 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -35.32 12.73 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.703 2.268 . . . . 0.0 112.32 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 7.1 t 65.52 53.97 1.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.822 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.0 p -135.85 144.72 45.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.83 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.509 179.97 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.3 m -67.01 150.38 49.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.884 0.373 . . . . 0.0 110.894 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.6 t -106.38 135.65 47.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.16 -77.38 1.18 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.5 p -80.86 145.93 31.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.846 0.355 . . . . 0.0 110.84 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 t -155.44 154.0 31.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.06 104.7 0.36 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.483 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -139.0 161.34 37.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.846 0.355 . . . . 0.0 110.902 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.61 141.14 23.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.2 mtp180 -82.97 107.1 15.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.419 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -149.88 155.4 38.03 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.536 0.684 . . . . 0.0 111.113 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.419 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 53.0 Cg_endo -69.82 139.86 41.03 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.695 2.263 . . . . 0.0 112.322 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -108.29 121.77 45.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.4 mttt -118.54 136.75 53.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -124.79 108.12 1.07 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.505 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.9 p-10 -114.97 -47.2 2.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.919 0.39 . . . . 0.0 110.89 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.5 m -84.99 152.69 23.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.177 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.668 HD22 HG23 ' A' ' 66' ' ' VAL . 10.5 mt -135.36 127.1 29.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.933 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -82.04 107.98 15.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.963 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.639 HG13 HG22 ' A' ' 81' ' ' VAL . 6.0 t -103.76 149.38 7.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.138 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.471 ' CD1' ' N ' ' A' ' 22' ' ' GLY . 11.9 t80 -132.98 148.63 52.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.471 ' N ' ' CD1' ' A' ' 21' ' ' TYR . . . -167.73 177.46 42.06 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.464 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -131.61 -34.56 1.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.922 0.391 . . . . 0.0 110.912 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -126.06 40.98 3.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.503 ' HG2' HD21 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -117.5 154.12 31.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.4 p -124.56 157.26 66.05 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.579 0.705 . . . . 0.0 111.148 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_exo -47.98 -62.52 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.693 2.262 . . . . 0.0 112.332 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 75.4 m -49.55 -33.35 14.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.155 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.6 tt -62.29 -47.14 85.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.928 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.4 mt -64.31 -31.86 73.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.96 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.708 ' CD ' HD23 ' A' ' 43' ' ' LEU . 31.5 mmm-85 -55.59 -49.09 73.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -83.61 -12.96 76.91 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.505 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.01 -30.49 19.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.83 0.347 . . . . 0.0 111.094 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.826 ' HB2' HD11 ' A' ' 40' ' ' ILE . 16.5 m-85 -96.71 -13.43 22.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.575 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 0.6 OUTLIER -57.29 -45.89 99.87 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.668 0.747 . . . . 0.0 110.824 -179.778 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' ' 35' ' ' SER . 65.7 Cg_exo -47.93 -51.67 9.51 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.743 2.296 . . . . 0.0 112.343 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.551 ' CE2' ' HG ' ' A' ' 69' ' ' LEU . 98.1 m-85 -61.65 -39.03 89.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 177.94 -155.6 17.6 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.452 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -97.07 142.78 28.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.778 0.323 . . . . 0.0 110.899 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.826 HD11 ' HB2' ' A' ' 34' ' ' PHE . 69.6 mt -102.36 109.83 27.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.137 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.8 pt -95.07 -26.36 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.122 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -139.06 112.77 8.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.894 HD13 HG22 ' A' ' 54' ' ' VAL . 7.7 tp -137.77 115.59 11.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.957 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.8 t -128.59 133.93 48.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.792 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 1.0 OUTLIER -111.93 136.0 51.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.548 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 21.9 m-20 -119.81 95.48 49.19 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.611 0.719 . . . . 0.0 110.932 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.591 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 64.8 Cg_exo -47.89 -43.39 29.74 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.703 2.268 . . . . 0.0 112.343 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.0 Cg_exo -47.97 -63.94 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.632 2.221 . . . . 0.0 112.367 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.83 10.36 11.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.1 m120 42.26 40.33 1.73 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 98.8 m -126.82 -177.37 4.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.792 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -156.5 164.85 37.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.088 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -136.28 105.4 5.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.894 HG22 HD13 ' A' ' 43' ' ' LEU . 40.6 t -103.42 136.56 35.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.146 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 50.2 m -116.06 145.08 43.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.479 ' CD2' HD11 ' A' ' 18' ' ' LEU . 24.7 m-85 -112.93 140.83 47.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -58.67 -22.82 57.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.6 mttp -130.03 135.44 48.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.421 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 9.8 ptp -55.12 -40.68 70.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 59' ' ' MET . 10.5 pt-20 -36.25 -53.3 0.82 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 62' ' ' ALA . 24.0 m -58.03 -48.86 78.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.632 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -33.79 -63.03 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.101 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -62.25 -44.62 96.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.465 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 23.5 mt-30 -52.81 -66.1 0.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.523 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . . . -48.35 -62.13 1.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.901 HG21 HD13 ' A' ' 83' ' ' ILE . 16.5 t -49.82 -21.8 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.125 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -84.89 -36.97 21.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.057 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -97.85 -58.42 1.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.551 ' HG ' ' CE2' ' A' ' 37' ' ' PHE . 9.0 mt -53.88 -15.22 1.23 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.19 108.56 3.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 68.37 22.03 74.52 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.428 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.647 HG23 HG13 ' A' ' 74' ' ' VAL . 3.0 t -85.74 151.13 24.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.703 0.287 . . . . 0.0 111.152 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -107.77 97.47 7.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.647 HG13 HG23 ' A' ' 72' ' ' THR . 3.3 m -114.9 140.04 38.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.084 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 55.25 29.06 12.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.6 t 69.88 29.77 3.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.856 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.5 t -138.54 125.53 26.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.12 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -78.15 102.66 7.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.503 HD21 ' HG2' ' A' ' 25' ' ' MET . 30.0 mt -93.3 139.98 30.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 38.3 mttp -120.43 108.28 13.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.639 HG22 HG13 ' A' ' 20' ' ' VAL . 12.5 t -106.52 148.04 11.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -148.1 160.11 43.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.901 HD13 HG21 ' A' ' 66' ' ' VAL . 10.6 mm -75.74 94.85 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.117 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -39.9 148.71 0.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -103.21 -18.62 14.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.406 ' HB3' ' NZ ' ' A' ' 86' ' ' LYS . 0.6 OUTLIER -98.2 46.39 1.01 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.951 179.906 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -126.49 81.58 67.82 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.589 0.709 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 178.59 4.41 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.679 2.253 . . . . 0.0 112.363 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.61 154.59 32.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.494 ' C ' HD12 ' A' ' 90' ' ' LEU . 0.6 OUTLIER -164.07 132.22 3.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -140.91 178.63 7.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.5 p -108.35 -52.92 2.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 177.4 -173.51 46.24 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.458 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -42.97 2.96 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.696 2.264 . . . . 0.0 112.367 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.3 p -49.52 156.06 0.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 21.5 m 58.63 42.33 20.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.491 179.995 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.2 p -107.9 117.89 35.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.878 0.371 . . . . 0.0 110.852 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.0 m -148.78 155.52 41.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.855 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.87 100.18 0.64 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.455 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m 52.44 41.18 30.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.869 0.366 . . . . 0.0 110.816 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.2 p -153.12 128.5 9.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.73 171.65 35.51 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.538 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -118.03 171.24 8.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.813 0.34 . . . . 0.0 110.909 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.8 mtt180 -98.72 115.26 28.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.4 mtm-85 -41.4 130.13 3.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -138.4 148.61 59.97 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.595 0.712 . . . . 0.0 111.102 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 119.7 6.6 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.73 2.287 . . . . 0.0 112.351 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.62 155.19 41.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.2 mtmm -91.73 133.66 35.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -147.74 132.87 4.43 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.6 p-10 -114.63 -47.79 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.894 0.378 . . . . 0.0 110.931 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.605 ' OG1' HD23 ' A' ' 90' ' ' LEU . 20.3 m -85.2 147.29 26.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.789 HD21 ' HA ' ' A' ' 62' ' ' ALA . 8.1 mt -127.71 136.86 52.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -91.98 110.92 22.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.942 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.547 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 13.6 t -106.07 149.7 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.168 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.4 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 9.2 t80 -138.86 120.43 15.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.967 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -135.76 -174.5 13.41 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.504 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -128.72 -60.08 1.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.901 0.382 . . . . 0.0 110.935 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -108.84 46.2 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.848 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.84 154.39 31.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 p -124.24 157.31 64.83 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-O 121.61 0.719 . . . . 0.0 111.107 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -48.0 -64.51 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.686 2.257 . . . . 0.0 112.305 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 94.7 m -46.05 -32.87 3.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.429 ' O ' HD23 ' A' ' 29' ' ' LEU . 5.5 tt -65.67 -48.56 71.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.9 mt -62.74 -31.45 72.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.467 ' HG2' HD23 ' A' ' 43' ' ' LEU . 23.7 mtm180 -55.67 -43.8 76.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -90.33 -3.37 72.38 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.511 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.59 -37.05 11.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.82 0.343 . . . . 0.0 111.089 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.668 ' CE2' HD12 ' A' ' 69' ' ' LEU . 41.9 m-85 -94.36 -17.93 22.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.586 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -58.88 -46.0 99.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.68 0.753 . . . . 0.0 110.866 -179.792 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 35' ' ' SER . 64.4 Cg_exo -47.97 -38.02 30.65 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.681 2.254 . . . . 0.0 112.355 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.491 ' HE1' HD21 ' A' ' 69' ' ' LEU . 86.7 m-85 -74.84 -37.74 62.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -176.85 -161.87 26.38 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.505 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -93.53 131.48 38.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.81 0.338 . . . . 0.0 110.852 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.487 HG21 ' HB2' ' A' ' 43' ' ' LEU . 45.9 mt -92.95 115.14 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.142 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.9 pt -99.45 -19.3 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.095 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -146.95 109.78 4.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.654 HD13 HG22 ' A' ' 54' ' ' VAL . 7.0 tp -132.42 106.21 7.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 29.7 t -117.33 143.74 45.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.931 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 20.9 mmm -126.84 127.42 44.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.542 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 28.8 m-20 -120.51 95.59 49.0 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.625 0.726 . . . . 0.0 110.865 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.579 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 63.8 Cg_exo -47.95 -43.31 30.28 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.668 2.245 . . . . 0.0 112.395 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.4 Cg_exo -47.98 -60.79 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.62 2.214 . . . . 0.0 112.378 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -85.3 4.76 33.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 44.91 53.77 7.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 29.2 p -148.41 175.96 10.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.931 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -153.75 165.79 34.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.079 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -128.47 103.68 7.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.654 HG22 HD13 ' A' ' 43' ' ' LEU . 44.9 t -102.72 114.78 43.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.2 m -101.28 144.18 30.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.158 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.641 ' CD2' HD11 ' A' ' 18' ' ' LEU . 15.1 m-85 -110.55 144.14 39.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.936 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -59.55 -18.06 37.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.868 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt -134.45 156.36 48.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.478 ' SD ' ' N ' ' A' ' 60' ' ' GLU . 4.2 ppp? -71.22 -46.36 61.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.88 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.478 ' N ' ' SD ' ' A' ' 59' ' ' MET . 16.8 pt-20 -37.99 -44.51 0.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.473 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 63.0 m -63.48 -51.23 66.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.789 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -39.38 -59.44 1.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.081 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -62.63 -45.17 94.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.466 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 35.7 mt-30 -51.65 -64.62 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -47.28 -59.43 3.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.565 HG22 HG12 ' A' ' 81' ' ' VAL . 10.8 t -53.22 -18.03 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -89.08 -36.94 15.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -97.98 -58.92 1.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.668 HD12 ' CE2' ' A' ' 34' ' ' PHE . 8.3 mt -51.89 -36.76 49.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 69' ' ' LEU . 0.5 OUTLIER -37.29 114.83 0.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 51.22 39.88 43.62 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.467 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.482 HG23 HG13 ' A' ' 74' ' ' VAL . 8.0 t -90.39 157.99 17.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.759 0.314 . . . . 0.0 111.142 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -114.13 95.37 5.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.482 HG13 HG23 ' A' ' 72' ' ' THR . 1.9 m -116.99 139.49 43.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.404 ' CD ' ' HG ' ' A' ' 29' ' ' LEU . 20.2 mt-10 54.14 29.91 11.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.4 p 69.24 31.59 3.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 77.1 t -138.3 128.4 34.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.13 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -81.47 109.44 15.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.1 mt -98.33 139.2 34.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.943 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 31.0 mttp -119.44 104.81 10.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.875 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.565 HG12 HG22 ' A' ' 66' ' ' VAL . 19.4 t -104.1 145.68 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.139 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -152.55 151.84 31.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 85' ' ' ARG . 10.4 mm -70.52 95.4 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.133 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 83' ' ' ILE . . . -34.07 95.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.085 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -66.8 156.0 36.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.914 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.457 ' C ' ' CD ' ' A' ' 88' ' ' PRO . 29.2 ttpt 58.89 51.93 6.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.499 ' N ' ' CD ' ' A' ' 88' ' ' PRO . 21.9 pt20 -117.63 51.08 1.12 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.581 0.705 . . . . 0.0 110.902 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 87' ' ' GLN . 53.4 Cg_endo -69.78 -2.59 10.44 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.687 2.258 . . . . 0.0 112.332 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.457 ' C ' HD12 ' A' ' 90' ' ' LEU . 8.2 mmt -123.35 36.35 4.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.605 HD23 ' OG1' ' A' ' 17' ' ' THR . 7.0 mp -132.7 92.59 3.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -161.3 136.37 7.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.6 m -129.68 141.53 50.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 130.66 -155.9 21.4 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.526 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 140.86 43.55 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.69 2.26 . . . . 0.0 112.317 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.1 t -141.9 147.85 37.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 21.2 m -111.1 156.67 20.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.469 -179.978 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -48.56 117.48 2.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.908 0.385 . . . . 0.0 110.826 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 t -43.2 -60.9 1.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.0 -103.38 0.55 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.482 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.9 p -165.89 175.7 8.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 0.0 110.865 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.2 m -130.42 103.69 6.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.48 120.28 4.65 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -113.41 -53.89 2.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.819 0.343 . . . . 0.0 110.859 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -102.2 46.21 0.94 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -65.25 150.49 48.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.757 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -101.54 165.41 14.11 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.574 0.702 . . . . 0.0 111.13 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.757 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 53.5 Cg_endo -69.77 0.44 5.64 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.724 2.283 . . . . 0.0 112.348 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -110.53 91.1 3.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.428 ' HD2' ' N ' ' A' ' 15' ' ' GLY . 0.0 OUTLIER -108.83 -32.99 7.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.463 ' O ' ' CB ' ' A' ' 62' ' ' ALA . . . -144.72 94.82 0.17 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.515 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -96.6 -41.18 8.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.927 0.394 . . . . 0.0 110.943 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.1 m -86.21 156.18 20.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.12 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.856 HD21 ' HA ' ' A' ' 62' ' ' ALA . 14.7 mt -134.87 128.58 32.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -84.4 111.61 19.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.461 HG22 HG13 ' A' ' 81' ' ' VAL . 16.0 t -108.35 147.5 13.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.096 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -140.8 123.18 15.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.923 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -137.93 -174.86 13.57 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.508 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -126.3 -60.52 1.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.35 . . . . 0.0 110.909 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -110.17 47.47 0.96 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.84 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.43 155.5 29.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.6 p -126.43 153.9 74.98 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.614 0.721 . . . . 0.0 111.112 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -47.97 -59.77 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.687 2.258 . . . . 0.0 112.365 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 54.2 m -45.92 -35.14 4.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.136 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.466 HD11 ' CB ' ' A' ' 75' ' ' GLU . 6.1 tt -66.76 -49.53 65.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.436 HD11 ' CE ' ' A' ' 45' ' ' MET . 15.1 mt -58.25 -31.12 67.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -58.84 -41.32 86.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.82 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -90.67 -9.65 64.2 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.504 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.12 -31.92 14.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.851 0.358 . . . . 0.0 111.096 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.476 ' HB2' HD11 ' A' ' 40' ' ' ILE . 27.7 m-85 -96.43 -23.39 16.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.587 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -55.53 -46.0 99.78 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.665 0.745 . . . . 0.0 110.86 -179.796 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 35' ' ' SER . 63.7 Cg_exo -47.94 -37.62 29.69 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.67 2.247 . . . . 0.0 112.372 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.411 ' HE1' HD21 ' A' ' 69' ' ' LEU . 95.1 m-85 -75.84 -37.48 58.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -176.35 -162.91 27.96 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -94.37 124.78 38.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.776 0.322 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.487 HG21 ' HB2' ' A' ' 43' ' ' LEU . 43.3 mt -84.56 114.76 25.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.9 pt -101.56 -21.23 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -145.0 106.23 4.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.869 HD13 HG22 ' A' ' 54' ' ' VAL . 9.4 tp -128.1 109.86 11.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 m -118.08 136.45 53.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.827 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.72 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 1.4 mmt -124.03 131.89 53.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.54 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 1.4 m-20 -125.04 95.59 41.6 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.576 0.703 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.586 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 65.7 Cg_exo -47.96 -43.34 30.27 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.663 2.242 . . . . 0.0 112.361 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.0 Cg_exo -47.95 -63.74 0.29 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.702 2.268 . . . . 0.0 112.352 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 -81.68 6.26 15.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 44.05 48.35 7.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 24.3 p -145.88 173.81 11.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.72 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -153.68 167.9 28.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.09 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -134.81 101.82 5.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.869 HG22 HD13 ' A' ' 43' ' ' LEU . 71.5 t -96.09 130.42 44.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.101 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 90.0 m -110.24 139.5 45.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.172 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.587 ' CD2' ' HB3' ' A' ' 61' ' ' SER . 15.6 m-85 -108.96 141.75 40.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -58.25 -32.3 68.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.4 mtpt -125.22 121.42 34.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.95 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.466 ' HG2' ' N ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -44.03 -36.7 2.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 179.887 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.466 ' N ' ' HG2' ' A' ' 59' ' ' MET . 6.7 mt-10 -39.14 -32.66 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.587 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 36.2 m -78.38 -47.25 18.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.856 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -36.0 -57.0 0.71 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -65.42 -45.5 83.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.457 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 15.1 mt-30 -54.02 -66.38 0.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -47.15 -58.64 3.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.634 HG21 HD13 ' A' ' 83' ' ' ILE . 12.5 t -53.88 -20.21 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.169 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -85.69 -38.19 18.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.084 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -97.88 -58.46 1.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 65' ' ' ALA . 9.3 mt -52.75 -21.02 3.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -61.69 118.15 6.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 60.53 21.83 58.21 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.501 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.477 HG23 HG13 ' A' ' 74' ' ' VAL . 1.7 t -84.67 157.5 21.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.696 0.284 . . . . 0.0 111.16 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -119.75 97.39 5.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.477 HG13 HG23 ' A' ' 72' ' ' THR . 3.4 m -112.05 143.73 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.466 ' CB ' HD11 ' A' ' 29' ' ' LEU . 30.5 mm-40 53.44 26.74 5.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.8 t 72.89 30.51 1.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.5 t -138.2 127.55 33.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.111 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -81.16 105.97 12.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 29.0 mt -95.73 137.83 34.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -115.83 108.8 16.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.478 HG12 HG22 ' A' ' 66' ' ' VAL . 5.3 t -110.54 144.08 19.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -149.28 155.69 40.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.846 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.634 HD13 HG21 ' A' ' 66' ' ' VAL . 13.3 mm -70.7 95.91 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.117 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -48.89 124.96 9.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 50.2 ttm-85 -70.91 -56.24 6.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -83.25 92.13 7.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -107.77 82.09 1.31 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.588 0.709 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 178.38 4.64 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.671 2.247 . . . . 0.0 112.357 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 13.6 mmt -70.7 138.52 50.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.6 mt -116.51 -45.07 2.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 19.9 p-10 -123.55 94.53 4.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.464 ' O ' ' C ' ' A' ' 93' ' ' GLY . 34.0 m -63.65 100.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 92' ' ' SER . . . -33.06 96.51 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.426 ' N ' ' O ' ' A' ' 92' ' ' SER . 53.3 Cg_endo -69.76 109.66 2.37 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.693 2.262 . . . . 0.0 112.311 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 60.5 p -109.39 134.83 51.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.821 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.6 t -86.08 167.12 15.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.813 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.464 -179.965 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.5 m -147.66 153.97 40.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.869 0.366 . . . . 0.0 110.869 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.1 t -99.27 171.7 7.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.834 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.49 128.98 9.73 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.497 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -94.7 134.92 36.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.824 0.345 . . . . 0.0 110.853 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.6 m -43.27 146.26 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.904 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.77 -151.8 8.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -132.2 142.29 49.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.863 0.363 . . . . 0.0 110.886 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 64.6 mtt-85 -60.67 114.75 3.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -50.06 135.49 20.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.849 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.25 151.15 94.46 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.59 0.709 . . . . 0.0 111.097 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 159.52 53.17 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.707 2.271 . . . . 0.0 112.357 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.418 ' C ' ' HG3' ' A' ' 14' ' ' LYS . 34.5 mtm180 -109.37 82.64 1.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.827 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.473 ' HE3' ' CE ' ' A' ' 59' ' ' MET . 43.3 mtpt -153.56 118.71 5.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.43 ' HA3' ' CD ' ' A' ' 87' ' ' GLN . . . -156.57 173.8 34.33 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.481 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.6 p-10 -108.91 -46.13 3.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.87 0.367 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.468 ' O ' ' NE2' ' A' ' 87' ' ' GLN . 6.4 m -85.4 155.34 21.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.723 HD21 ' HA ' ' A' ' 62' ' ' ALA . 12.4 mt -135.84 128.05 30.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -83.88 107.54 16.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.948 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.499 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 37.0 t -106.96 143.24 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.129 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.492 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 0.3 OUTLIER -139.01 135.01 33.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.876 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -147.71 -162.82 10.29 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.469 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -135.04 -45.8 0.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.865 0.364 . . . . 0.0 110.841 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.573 ' O ' HG21 ' A' ' 77' ' ' VAL . 14.0 m-20 -122.82 45.86 2.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.761 ' SD ' HD22 ' A' ' 79' ' ' LEU . 0.1 OUTLIER -117.88 139.65 50.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.7 p -112.63 155.61 43.64 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.543 0.687 . . . . 0.0 111.127 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo -48.0 -49.81 13.15 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.675 2.25 . . . . 0.0 112.296 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 87.0 m -58.53 -30.24 66.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.517 HD11 ' CB ' ' A' ' 75' ' ' GLU . 6.3 tt -68.4 -52.43 33.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.3 mt -57.22 -28.93 63.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.937 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.448 ' HA ' ' CD1' ' A' ' 40' ' ' ILE . 48.6 mtt-85 -61.98 -39.01 90.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -93.05 -12.1 58.02 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.05 -31.7 14.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.797 0.332 . . . . 0.0 111.088 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.536 ' CZ ' HD13 ' A' ' 69' ' ' LEU . 17.3 m-85 -95.19 -17.43 21.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.819 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.594 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -59.42 -45.69 98.93 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.713 0.768 . . . . 0.0 110.873 -179.81 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 35' ' ' SER . 64.5 Cg_exo -47.99 -34.93 24.08 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.692 2.261 . . . . 0.0 112.374 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.469 ' HE1' HD21 ' A' ' 69' ' ' LEU . 92.1 m-85 -77.14 -36.02 55.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -178.99 -148.22 7.56 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -104.98 138.41 41.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.755 0.312 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.513 HD11 ' HB2' ' A' ' 34' ' ' PHE . 60.1 mt -99.98 113.24 34.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 12.8 pt -99.83 -33.16 3.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -134.6 106.48 7.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.78 HD13 HG22 ' A' ' 54' ' ' VAL . 3.4 tp -129.67 109.94 11.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.425 ' N ' HD12 ' A' ' 43' ' ' LEU . 11.3 p -120.23 141.87 49.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.416 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -120.77 140.06 52.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.547 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 6.6 t70 -126.0 95.67 38.97 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.589 0.709 . . . . 0.0 110.851 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.598 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 65.0 Cg_exo -48.03 -43.28 30.79 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.669 2.246 . . . . 0.0 112.365 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.6 Cg_exo -47.97 -62.24 0.47 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.699 2.266 . . . . 0.0 112.312 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -91.9 12.23 22.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.5 m120 41.64 38.36 0.91 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.1 p -120.99 177.94 4.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.416 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -159.86 156.55 27.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.094 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -121.75 99.43 6.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.855 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.78 HG22 HD13 ' A' ' 43' ' ' LEU . 96.1 t -96.04 130.08 45.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.083 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 39.8 m -113.39 131.23 56.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.133 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.632 ' CD2' HD11 ' A' ' 18' ' ' LEU . 27.9 m-85 -99.84 141.4 32.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -55.65 -25.38 38.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 33.2 mttm -121.04 162.14 20.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.473 ' CE ' ' HE3' ' A' ' 14' ' ' LYS . 8.7 ptm -81.18 -30.64 34.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.471 ' HG3' ' N ' ' A' ' 61' ' ' SER . 14.2 pt-20 -55.34 -43.04 74.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.471 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 56.3 m -58.61 -43.52 89.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.723 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -45.09 -60.07 2.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.042 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -64.41 -39.91 94.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.821 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.462 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 17.0 mt-30 -55.34 -66.73 0.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -47.39 -56.14 7.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.7 HG23 HD22 ' A' ' 18' ' ' LEU . 6.7 t -52.33 -17.13 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -91.49 -38.21 12.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.111 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -98.13 -58.46 1.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.536 HD13 ' CZ ' ' A' ' 34' ' ' PHE . 9.3 mt -57.63 -12.59 2.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.45 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -72.4 111.8 7.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 179.897 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 71.7 13.33 74.86 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.498 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.503 HG23 HG13 ' A' ' 74' ' ' VAL . 1.3 t -82.17 154.96 25.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.745 0.307 . . . . 0.0 111.148 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -118.93 95.12 4.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.503 HG13 HG23 ' A' ' 72' ' ' THR . 3.4 m -107.49 143.56 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.517 ' CB ' HD11 ' A' ' 29' ' ' LEU . 5.9 mm-40 56.27 25.04 8.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.5 t 74.16 29.36 1.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.573 HG21 ' O ' ' A' ' 24' ' ' ASP . 89.3 t -138.43 119.88 17.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.085 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -76.38 103.52 6.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.761 HD22 ' SD ' ' A' ' 25' ' ' MET . 26.6 mt -89.36 147.55 24.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 19.3 ttpt -121.84 103.96 9.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.502 HG21 ' HB3' ' A' ' 69' ' ' LEU . 17.7 t -100.54 144.52 12.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -150.15 150.15 31.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.684 HD13 HG21 ' A' ' 66' ' ' VAL . 9.6 mm -70.9 94.75 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.458 ' HB3' ' HB3' ' A' ' 87' ' ' GLN . . . -41.27 108.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.459 ' HG2' ' N ' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -53.51 -28.39 30.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.922 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.459 ' N ' ' HG2' ' A' ' 85' ' ' ARG . 26.2 mmmt -112.2 62.16 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.468 ' NE2' ' O ' ' A' ' 17' ' ' THR . 2.4 pt20 -107.72 82.49 1.38 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.615 0.722 . . . . 0.0 110.899 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -176.23 1.42 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.681 2.254 . . . . 0.0 112.368 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 57.8 mtp -80.54 97.82 7.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 76.1 mt -104.62 131.73 51.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -136.63 149.64 48.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.8 m -95.1 -57.44 2.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 101.65 159.59 26.8 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.48 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 95' ' ' SER . 53.7 Cg_endo -69.71 2.8 3.18 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.696 2.264 . . . . 0.0 112.335 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 94' ' ' PRO . 18.3 m -35.87 -48.32 0.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 95' ' ' SER . 50.2 p -38.5 119.49 0.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.823 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.469 179.971 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.4 m -123.52 107.35 11.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.883 0.373 . . . . 0.0 110.858 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 t 69.95 38.8 1.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.829 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.06 57.01 5.98 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.497 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.9 t -61.34 -54.78 39.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.885 0.374 . . . . 0.0 110.826 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.4 m 56.1 42.68 28.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.868 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.15 -69.68 1.35 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.491 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.425 ' CD ' ' H ' ' A' ' 8' ' ' GLU . 4.9 pm0 -66.75 154.39 40.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.872 0.368 . . . . 0.0 110.843 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.43 37.15 0.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.8 ttp85 53.52 41.15 32.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -38.95 150.62 0.21 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.576 0.703 . . . . 0.0 111.129 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -176.33 1.46 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.666 2.244 . . . . 0.0 112.332 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -123.94 -54.89 1.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt 66.86 43.07 2.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -101.48 79.44 0.4 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.537 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -126.87 -38.77 2.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.932 0.396 . . . . 0.0 110.901 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.57 ' O ' HD23 ' A' ' 18' ' ' LEU . 9.0 m -87.22 154.19 20.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.173 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.734 HD11 ' CD2' ' A' ' 56' ' ' TYR . 9.7 mt -136.27 126.44 26.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -82.92 106.45 14.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.638 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 22.3 t -105.37 143.93 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.11 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.401 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 7.9 t80 -138.11 119.79 15.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -132.94 -175.68 14.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.55 ' CD ' ' N ' ' A' ' 23' ' ' GLU . 3.2 mp0 -117.56 -69.94 0.82 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 110.891 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -105.71 50.5 0.78 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.408 ' HG2' HD21 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -116.78 151.55 36.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 p -124.46 158.4 61.74 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.606 0.717 . . . . 0.0 111.125 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -47.98 -62.71 0.4 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.667 2.244 . . . . 0.0 112.371 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 74.5 m -42.02 -37.91 1.49 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.146 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.558 HD11 ' CB ' ' A' ' 75' ' ' GLU . 5.6 tt -65.67 -51.29 60.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.7 mt -56.71 -31.61 64.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 52.2 mtt180 -59.38 -42.51 91.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -91.65 -9.22 63.07 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.481 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.32 -33.78 14.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.784 0.326 . . . . 0.0 111.096 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.72 ' CE2' HD12 ' A' ' 69' ' ' LEU . 45.8 m-85 -95.83 -19.6 19.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.58 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -62.03 -46.01 91.64 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.632 0.729 . . . . 0.0 110.831 -179.759 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.58 ' CD ' ' N ' ' A' ' 35' ' ' SER . 65.1 Cg_exo -47.98 -17.71 0.91 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.695 2.263 . . . . 0.0 112.366 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -93.43 -33.47 13.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -177.3 -130.31 1.36 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.46 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -123.6 133.33 53.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.802 0.334 . . . . 0.0 110.935 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.491 HG21 ' HB2' ' A' ' 43' ' ' LEU . 57.6 mt -95.02 110.78 24.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.5 pt -98.11 -18.51 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -148.93 106.9 3.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.701 HD13 HG22 ' A' ' 54' ' ' VAL . 8.3 tp -128.06 106.56 9.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.2 m -117.33 138.0 52.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.807 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 4.7 mmm -121.29 123.08 41.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.536 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 36.7 m-20 -114.04 95.62 38.92 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.586 0.707 . . . . 0.0 110.857 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.586 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 64.8 Cg_exo -47.99 -43.31 30.52 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.694 2.263 . . . . 0.0 112.357 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 65.5 Cg_exo -47.98 -44.97 26.38 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.344 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 50' ' ' ASN . 37.5 mmt180 -104.52 13.89 30.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 49' ' ' ARG . 24.1 m-80 37.29 41.44 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 29.7 p -134.65 174.23 10.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.807 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -152.63 161.24 42.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.138 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -124.77 102.2 7.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.701 HG22 HD13 ' A' ' 43' ' ' LEU . 60.8 t -98.93 117.08 43.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 40.1 m -100.21 132.39 45.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.734 ' CD2' HD11 ' A' ' 18' ' ' LEU . 15.9 m-85 -99.73 146.51 26.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -59.9 -24.31 64.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.7 mtmm -130.21 156.66 44.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.502 ' SD ' ' N ' ' A' ' 60' ' ' GLU . 4.0 ppp? -67.2 -49.15 65.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.898 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.502 ' N ' ' SD ' ' A' ' 59' ' ' MET . 19.7 pt-20 -35.91 -51.8 0.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.52 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 69.5 m -52.33 -52.25 54.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.704 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -41.14 -64.5 0.54 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.09 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.19 -45.98 79.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.434 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 9.6 mt-30 -51.96 -64.64 0.75 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -47.79 -57.55 5.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.118 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.495 HG21 HG12 ' A' ' 83' ' ' ILE . 9.2 t -54.81 -16.81 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -91.04 -36.31 14.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -97.94 -58.17 2.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.938 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.72 HD12 ' CE2' ' A' ' 34' ' ' PHE . 8.7 mt -54.69 -27.41 40.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -51.69 113.81 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 58.68 33.41 72.41 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.482 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.52 HG23 HG13 ' A' ' 74' ' ' VAL . 2.5 t -91.31 161.58 14.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.746 0.308 . . . . 0.0 111.149 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -120.67 95.76 4.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.933 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.52 HG13 HG23 ' A' ' 72' ' ' THR . 2.8 m -116.99 141.0 37.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.558 ' CB ' HD11 ' A' ' 29' ' ' LEU . 17.7 mm-40 54.57 33.37 18.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m 63.97 29.71 14.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 86.4 t -138.0 125.52 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.135 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -78.3 116.09 18.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.408 HD21 ' HG2' ' A' ' 25' ' ' MET . 52.8 mt -105.72 141.2 37.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -122.5 108.65 13.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.556 HG13 HG22 ' A' ' 20' ' ' VAL . 3.1 t -108.64 139.06 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -145.93 143.34 29.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.495 HG12 HG21 ' A' ' 66' ' ' VAL . 8.3 mm -70.44 98.45 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.58 86.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 41.2 ttm-85 -44.66 -37.32 3.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.8 pttp -99.61 96.81 7.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -108.2 81.8 1.39 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.562 0.696 . . . . 0.0 110.949 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -2.09 9.59 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.657 2.238 . . . . 0.0 112.339 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 20.2 tpp -93.41 96.67 10.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 16.0 mt -117.25 127.89 54.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -110.72 77.92 1.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 89.5 p -109.44 136.23 49.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 79.42 94.13 0.34 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.521 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -6.05 17.68 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.668 2.245 . . . . 0.0 112.356 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.6 t -46.26 143.01 2.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.7 m -46.57 151.46 0.56 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.463 -179.956 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.2 m -80.97 87.26 6.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.883 0.373 . . . . 0.0 110.893 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.1 m -101.55 115.71 31.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.83 -70.2 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.495 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.7 m -112.52 -50.89 2.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.843 0.354 . . . . 0.0 110.827 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 t 64.85 42.92 4.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.9 -141.58 12.89 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.496 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.5 tp10 71.29 42.12 0.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.903 0.382 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -105.56 96.92 6.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -71.82 -30.14 65.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -167.71 153.16 6.95 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.501 0.667 . . . . 0.0 111.127 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 174.74 9.05 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.682 2.255 . . . . 0.0 112.354 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.9 ttm-85 -108.96 -43.11 4.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.4 mmtt -87.79 159.55 18.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 170.37 158.0 13.51 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.524 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.8 p-10 -110.41 -49.09 3.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.927 0.394 . . . . 0.0 110.914 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.8 m -87.29 155.26 20.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.827 HD21 ' HA ' ' A' ' 62' ' ' ALA . 9.3 mt -136.27 128.62 30.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -80.65 105.2 11.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.66 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 48.0 t -103.38 137.37 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.121 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 0.6 OUTLIER -142.94 116.24 9.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.898 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -127.07 -145.88 6.34 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -133.66 -72.95 0.49 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.865 0.364 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -103.85 49.61 0.82 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.711 ' SD ' HD22 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -109.93 145.92 36.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.7 p -119.96 155.49 55.26 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.577 0.703 . . . . 0.0 111.16 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -47.97 -45.55 24.58 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.695 2.263 . . . . 0.0 112.317 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.7 m -64.63 -29.9 70.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.46 HD11 ' CB ' ' A' ' 75' ' ' GLU . 6.0 tt -70.79 -50.45 35.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.422 HD21 ' HB2' ' A' ' 25' ' ' MET . 13.2 mt -56.13 -31.51 63.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.415 ' HA ' ' CD1' ' A' ' 40' ' ' ILE . 67.4 mtt-85 -62.9 -37.78 88.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -90.6 -11.72 61.85 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.462 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.67 -30.86 13.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.784 0.326 . . . . 0.0 111.077 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.66 ' CZ ' HG21 ' A' ' 20' ' ' VAL . 29.0 m-85 -95.5 -13.69 24.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.588 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -64.09 -45.98 79.95 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.652 0.739 . . . . 0.0 110.835 -179.782 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 35' ' ' SER . 64.4 Cg_exo -47.94 -24.62 5.37 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.689 2.259 . . . . 0.0 112.361 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.481 ' HE2' HD21 ' A' ' 69' ' ' LEU . 86.9 m-85 -87.28 -37.57 17.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -179.67 -147.45 7.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.458 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -104.76 141.16 36.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 110.875 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.478 HG21 ' HB2' ' A' ' 43' ' ' LEU . 60.8 mt -102.93 115.22 44.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.6 pt -102.03 -24.71 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.151 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -140.99 106.08 4.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.958 HD13 HG22 ' A' ' 54' ' ' VAL . 9.5 tp -130.6 109.28 10.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.2 m -119.89 148.02 44.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.471 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 0.3 OUTLIER -126.11 138.74 53.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.547 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 0.6 OUTLIER -123.83 95.57 44.22 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.662 0.744 . . . . 0.0 110.834 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.592 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 65.1 Cg_exo -47.97 -43.42 30.14 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.667 2.245 . . . . 0.0 112.313 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.592 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 66.6 Cg_exo -47.95 -53.14 7.06 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.74 2.293 . . . . 0.0 112.312 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -100.95 11.57 39.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.939 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.7 m120 41.66 36.4 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 18.2 p -117.53 -177.26 3.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.471 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -161.94 162.64 29.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.092 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -130.86 99.45 4.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.958 HG22 HD13 ' A' ' 43' ' ' LEU . 58.5 t -95.45 127.97 47.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.089 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 93.8 m -108.53 139.88 42.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.535 ' CD2' ' HB3' ' A' ' 61' ' ' SER . 14.0 m-85 -108.57 142.2 39.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -62.85 -22.78 66.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 59' ' ' MET . 49.6 mttt -131.64 109.74 10.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.44 ' HG2' ' N ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -35.18 -37.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.44 ' N ' ' HG2' ' A' ' 59' ' ' MET . 14.4 mt-10 -37.02 -46.53 0.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.535 ' HB3' ' CD2' ' A' ' 56' ' ' TYR . 56.6 m -64.6 -46.07 84.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.827 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -35.58 -59.19 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.091 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.5 -45.06 88.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.871 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.452 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 23.0 mt-30 -54.58 -67.13 0.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 69' ' ' LEU . . . -46.06 -58.17 3.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.841 HG21 HD13 ' A' ' 83' ' ' ILE . 9.4 t -54.18 -18.27 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.116 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -89.3 -36.72 15.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.065 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -98.01 -58.35 2.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.58 ' HB3' HG21 ' A' ' 81' ' ' VAL . 12.3 mt -55.43 -17.9 5.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.406 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -65.44 116.73 7.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 179.915 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 65.93 17.38 65.27 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.453 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.543 HG23 HG13 ' A' ' 74' ' ' VAL . 1.3 t -84.89 152.31 23.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.696 0.284 . . . . 0.0 111.181 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -115.74 96.33 5.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.543 HG13 HG23 ' A' ' 72' ' ' THR . 3.4 m -110.22 142.62 22.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.139 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.46 ' CB ' HD11 ' A' ' 29' ' ' LEU . 5.4 mm-40 56.1 28.76 13.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.3 m 70.33 25.6 4.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 92.1 t -135.94 121.29 28.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -77.89 111.78 14.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.711 HD22 ' SD ' ' A' ' 25' ' ' MET . 24.0 mt -98.6 146.47 25.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.958 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -119.2 104.87 10.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.58 HG21 ' HB3' ' A' ' 69' ' ' LEU . 4.2 t -101.86 136.69 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -140.99 156.23 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.841 HD13 HG21 ' A' ' 66' ' ' VAL . 11.7 mm -75.47 95.23 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.146 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -47.67 129.41 13.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.118 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -89.37 41.87 1.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -128.94 40.63 3.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -108.06 88.3 4.56 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.611 0.72 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -3.26 11.65 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.711 2.274 . . . . 0.0 112.35 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 25.8 ttm -116.4 140.91 48.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 88.3 mt -117.42 148.37 41.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -73.16 162.49 29.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 65.6 p -171.28 145.08 2.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -101.62 123.9 8.05 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.517 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -1.1 7.86 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.73 2.287 . . . . 0.0 112.345 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.1 m -161.49 145.23 12.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 m -126.05 148.19 49.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 -179.979 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.43 -0.268 . . . . 0.0 112.43 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 t -153.93 130.55 10.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.892 0.377 . . . . 0.0 110.882 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.2 p -138.99 161.61 36.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.23 145.11 4.78 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.465 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 t -132.32 173.55 11.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.896 0.379 . . . . 0.0 110.831 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -79.03 -50.51 10.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.31 56.07 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.461 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -81.94 97.33 8.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 110.889 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.86 -60.62 2.0 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.915 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -134.0 122.2 22.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -138.78 144.28 41.1 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.594 0.712 . . . . 0.0 111.063 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 164.01 36.09 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.717 2.278 . . . . 0.0 112.4 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 49.4 mtm-85 -102.02 -65.79 0.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.831 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -39.04 138.99 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 173.63 163.85 27.85 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.456 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.458 ' N ' ' OE1' ' A' ' 87' ' ' GLN . 4.2 m120 -112.14 -44.49 3.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.909 0.385 . . . . 0.0 110.884 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.566 ' O ' HD23 ' A' ' 18' ' ' LEU . 8.7 m -84.44 150.48 25.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.677 HD21 ' HA ' ' A' ' 62' ' ' ALA . 10.3 mt -134.34 125.51 27.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.953 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -81.11 106.16 12.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.595 HG13 HG22 ' A' ' 81' ' ' VAL . 11.4 t -102.0 151.36 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.126 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.475 ' CD1' ' N ' ' A' ' 22' ' ' GLY . 11.0 t80 -133.33 148.05 51.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.475 ' N ' ' CD1' ' A' ' 21' ' ' TYR . . . -169.45 179.72 41.82 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.483 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -133.93 -44.97 0.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.883 0.373 . . . . 0.0 110.899 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -112.99 39.75 2.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.822 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.408 ' CG ' ' HA3' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -117.98 151.21 37.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 p -124.16 159.62 56.08 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.636 0.731 . . . . 0.0 111.116 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -47.95 -65.22 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.665 2.243 . . . . 0.0 112.371 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 95.8 m -48.61 -30.08 4.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.412 ' O ' HD23 ' A' ' 29' ' ' LEU . 5.7 tt -66.05 -48.69 70.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.7 mt -63.77 -31.41 72.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.481 ' HA ' ' CD1' ' A' ' 40' ' ' ILE . 50.7 mtt180 -56.82 -50.79 71.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.836 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.76 -7.24 88.66 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.462 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -97.8 -27.76 14.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.809 0.338 . . . . 0.0 111.089 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.711 ' HB2' HD11 ' A' ' 40' ' ' ILE . 19.1 m-85 -96.91 -15.98 20.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.642 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 7.2 t -61.22 -42.15 84.13 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.687 0.756 . . . . 0.0 110.855 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 35' ' ' SER . 65.3 Cg_exo -48.0 -42.1 32.3 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.647 2.231 . . . . 0.0 112.326 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.539 ' CE2' ' HA ' ' A' ' 65' ' ' ALA . 92.4 m-85 -73.62 -39.42 64.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -178.16 -149.8 8.27 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.541 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -102.03 138.97 38.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.827 0.346 . . . . 0.0 110.887 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.711 HD11 ' HB2' ' A' ' 34' ' ' PHE . 54.7 mt -97.86 116.65 41.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.105 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.4 pt -102.13 -27.39 3.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.082 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -138.63 111.09 7.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.842 HD13 HG22 ' A' ' 54' ' ' VAL . 8.1 tp -135.46 106.5 6.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.2 t -119.5 141.21 49.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.516 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 0.4 OUTLIER -115.64 140.6 49.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.545 ' C ' ' HD2' ' A' ' 48' ' ' PRO . 0.6 OUTLIER -117.33 95.27 47.1 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.611 0.72 . . . . 0.0 110.852 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.586 ' N ' ' CD ' ' A' ' 48' ' ' PRO . 65.9 Cg_exo -47.99 -43.25 30.63 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.688 2.259 . . . . 0.0 112.294 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 47' ' ' PRO . 63.7 Cg_exo -47.91 -62.89 0.37 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.357 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -95.45 13.32 26.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 42.65 41.93 2.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 56.9 m -112.8 -177.3 3.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.516 ' HB2' ' SD ' ' A' ' 45' ' ' MET . . . -157.59 156.55 32.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.081 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -129.84 99.66 5.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.842 HG22 HD13 ' A' ' 43' ' ' LEU . 39.0 t -98.5 135.44 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.088 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.1 m -119.14 136.85 53.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.453 ' HH ' ' HD2' ' A' ' 34' ' ' PHE . 23.8 m-85 -104.33 140.76 37.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.936 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -55.32 -34.9 64.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 59' ' ' MET . 21.5 mmtp -120.39 114.16 21.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.474 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 0.0 OUTLIER -36.52 -37.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.848 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 59' ' ' MET . 9.5 mt-10 -34.81 -56.06 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.447 ' HB2' ' CG ' ' A' ' 56' ' ' TYR . 53.5 m -56.81 -46.15 81.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.858 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.677 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -34.36 -60.4 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.096 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -63.99 -44.86 91.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.412 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 24.1 mt-30 -54.76 -67.17 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.539 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -47.25 -59.38 3.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.077 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 1.074 HG21 HD13 ' A' ' 83' ' ' ILE . 15.7 t -50.21 -21.3 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.137 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 64' ' ' GLN . . . -89.23 -31.0 18.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.408 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 11.0 mt-10 -98.1 -59.2 1.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.434 ' CD1' ' CZ ' ' A' ' 34' ' ' PHE . 7.8 mt -55.92 -18.88 10.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -61.44 112.26 2.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.843 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 62.0 29.51 72.81 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.449 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.484 HG23 HG13 ' A' ' 74' ' ' VAL . 2.0 t -90.33 160.62 16.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.739 0.304 . . . . 0.0 111.146 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -120.34 96.63 5.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.484 HG13 HG23 ' A' ' 72' ' ' THR . 3.6 m -116.04 138.66 45.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.129 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 56.78 26.51 11.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.6 t 70.49 29.5 3.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.3 t -137.7 115.53 13.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.099 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -70.32 112.67 6.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.0 mt -102.12 140.0 36.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.961 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.51 111.58 16.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.595 HG22 HG13 ' A' ' 20' ' ' VAL . 6.4 t -110.77 147.25 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.091 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -146.5 151.12 36.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 1.074 HD13 HG21 ' A' ' 66' ' ' VAL . 19.4 mm -70.02 94.57 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 83' ' ' ILE . . . -36.73 147.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.086 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.46 -54.03 6.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.1 mmtp -72.13 82.01 0.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.458 ' OE1' ' N ' ' A' ' 16' ' ' ASN . 25.3 mt-30 -128.5 79.98 73.27 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.586 0.708 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 179.53 3.65 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.659 2.239 . . . . 0.0 112.366 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 9.1 ptm -78.25 143.68 36.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -109.54 -53.15 2.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.928 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -137.02 115.16 11.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 46.8 p -84.84 -59.34 2.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 69.05 146.7 0.19 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.467 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 162.71 41.03 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.684 2.256 . . . . 0.0 112.372 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 58.2 m -142.17 122.33 13.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.843 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.0 m -102.69 -58.8 1.81 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.851 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.496 179.98 . . . . . . . . 0 0 . 1 stop_ save_